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

C11H17N3 — CID 172583956

IUPAC4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCc1nc(C(C)C)nc2c1CCCN2
InChIInChI=1S/C11H17N3/c1-7(2)10-13-8(3)9-5-4-6-12-11(9)14-10/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySQZNSXKJWDBXLE-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.27
Rot. Bonds1

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

4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (PubChem CID 172583956) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
PubChem CID172583956
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCc1nc(C(C)C)nc2c1CCCN2
InChIInChI=1S/C11H17N3/c1-7(2)10-13-8(3)9-5-4-6-12-11(9)14-10/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySQZNSXKJWDBXLE-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol
CID 51039714
4-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 21064637
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 166941093
N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-4-amine
CID 21064610
6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139422166
2,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 176926544
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136965337
4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 135021333
1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
CID 80503862
4,6-dimethyl-2-propan-2-ylpyrimidin-5-ol
CID 15584112
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CID 172583956) is 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is Cc1nc(C(C)C)nc2c1CCCN2.
What is the InChIKey of 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The InChIKey is SQZNSXKJWDBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)10-13-8(3)9-5-4-6-12-11(9)14-10/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 172583956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).