2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane

C45H68N10 — CID 159907631

IUPAC2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane
SMILESC.C.C.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1cnn2cccnc12.Cc1nccnc1C(C)(C)C.Cc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C12H14N2.C11H15N3.C10H13N3.C9H14N2.3CH4/c1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-7-8(9(2,3)4)11-6-5-10-7;;;/h4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;3*1H4
InChIKeyNWTVNVNBMFLFAY-UHFFFAOYSA-N
MW749.11 g/mol
LogP11.28
Rot. Bonds

About 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane

2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane (PubChem CID 159907631) has the molecular formula C45H68N10 and a molecular weight of 749.11 g/mol. Its IUPAC name is 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane.

Molecular Properties

Compound Name2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane
PubChem CID159907631
Molecular FormulaC45H68N10
Molecular Weight749.11 g/mol
Exact Mass748.56
IUPAC Name2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane
SMILESC.C.C.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1cnn2cccnc12.Cc1nccnc1C(C)(C)C.Cc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C12H14N2.C11H15N3.C10H13N3.C9H14N2.3CH4/c1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-7-8(9(2,3)4)11-6-5-10-7;;;/h4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;3*1H4
InChIKeyNWTVNVNBMFLFAY-UHFFFAOYSA-N
XLogP11.28
TPSA111.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.11
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane with MolForge

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Related Compounds

2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
CID 71288912
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
CID 159848930
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
8-tert-butylpyrazolo[1,5-a][1,3,5]triazine
CID 58945630
7-tert-butyl-2-iodoindazole
CID 170406534
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
CID 141120800
ethane;1,6-naphthyridin-8-ol
CID 90698310
(2-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82271992
(2-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 82271914
N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
7-tert-butyl-8-methylquinoline
CID 146326372

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane?
The IUPAC name of 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane (CID 159907631) is 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane.
What is the SMILES notation for 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane?
The canonical SMILES for 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane is C.C.C.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1cnn2cccnc12.Cc1nccnc1C(C)(C)C.Cc1nn2cccnc2c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane?
The InChIKey is NWTVNVNBMFLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H15N3.C10H13N3.C9H14N2.3CH4/c1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-7-8(9(2,3)4)11-6-5-10-7;;;/h4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;3*1H4.
What are the key properties of 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane?
2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane has a molecular weight of 749.11 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane is sourced from PubChem (CID 159907631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).