3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine

C9H13N3 — CID 90849756

IUPAC3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine
SMILESCN1C=NC2=C(C=CCN2C)C1
InChIInChI=1S/C9H13N3/c1-11-6-8-4-3-5-12(2)9(8)10-7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyCTNBRXWREWLGCU-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.67
Rot. Bonds

About 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine

3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine (PubChem CID 90849756) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine
PubChem CID90849756
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine
SMILESCN1C=NC2=C(C=CCN2C)C1
InChIInChI=1S/C9H13N3/c1-11-6-8-4-3-5-12(2)9(8)10-7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyCTNBRXWREWLGCU-UHFFFAOYSA-N
XLogP0.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(phenylmethylimino)methanamine;yttrium
CID 59952998
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
1-methyl-8aH-quinazoline
CID 145507126
1,8-dimethyl-8aH-quinazoline
CID 149269224
5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633894
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142
1,3,4-trimethyl-5H-quinazolin-1-ium
CID 136139039
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
CID 157568450

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine (CID 90849756) is 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine is CN1C=NC2=C(C=CCN2C)C1.
What is the InChIKey of 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is CTNBRXWREWLGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-11-6-8-4-3-5-12(2)9(8)10-7-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine?
3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 90849756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).