2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C13H21N3 — CID 114742866

IUPAC2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CCNC2
InChIInChI=1S/C13H21N3/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyPGIAVTGKHKAXPO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds2

About 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742866) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742866
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CCNC2
InChIInChI=1S/C13H21N3/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyPGIAVTGKHKAXPO-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 176926544
2-butan-2-yl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742839
2-(1-methoxyethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742924
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105476716
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 114742834
2-(3,4-dichlorophenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742925
2-(1-methylsulfonylethyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741413
2-(3-methyl-1,4-dithian-2-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742901
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742866) is 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CC(C)c1nc2c(c(C(C)C)n1)CCNC2.
What is the InChIKey of 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is PGIAVTGKHKAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)12-10-5-6-14-7-11(10)15-13(16-12)9(3)4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).