6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine

C11H20N2 — CID 91449481

IUPAC6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=NCC=C(C(C)(C)C)N1
InChIInChI=1S/C11H20N2/c1-8(2)10-12-7-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyUVHPVCCNLKMIFZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.57
Rot. Bonds1

About 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine

6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine (PubChem CID 91449481) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
PubChem CID91449481
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=NCC=C(C(C)(C)C)N1
InChIInChI=1S/C11H20N2/c1-8(2)10-12-7-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyUVHPVCCNLKMIFZ-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640
4-Tert-butyl-2,6-dimethyl-1,4-dihydropyrimidine
CID 134478713
N,4,4,6-tetramethyl-1,3-dihydropyridin-2-imine
CID 135601357
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
N,3,3,5-tetramethyl-1H-pyrrol-2-imine
CID 137219259
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
N-[(2E,4E)-2-amino-5-methylhepta-2,4-dien-4-yl]-N',2,2-trimethylpropanimidamide
CID 144115549
N'-methyl-N-[(2Z)-4-methyl-4-[(methylideneamino)methyl]hexa-2,5-dien-3-yl]ethanimidamide
CID 144527786
N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 144723066
5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
CID 146416395
N-but-1-en-2-yl-4-methyl-2,3-dihydropyridin-6-amine
CID 146416732
6-Ethyl-4-methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 153569877

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine (CID 91449481) is 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine is CC(C)C1=NCC=C(C(C)(C)C)N1.
What is the InChIKey of 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine?
The InChIKey is UVHPVCCNLKMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-12-7-6-9(13-10)11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13).
What are the key properties of 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine?
6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 91449481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).