3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine

C12H19N3 — CID 166838377

IUPAC3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCC1C=CC2=C(N=CN(C)C2C(C)C)N1
InChIInChI=1S/C12H19N3/c1-8(2)11-10-6-5-9(3)14-12(10)13-7-15(11)4/h5-9,11,14H,1-4H3
InChIKeyILSMSQHSGLPQPA-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.74
Rot. Bonds1

About 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine

3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine (PubChem CID 166838377) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
PubChem CID166838377
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCC1C=CC2=C(N=CN(C)C2C(C)C)N1
InChIInChI=1S/C12H19N3/c1-8(2)11-10-6-5-9(3)14-12(10)13-7-15(11)4/h5-9,11,14H,1-4H3
InChIKeyILSMSQHSGLPQPA-UHFFFAOYSA-N
XLogP1.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine (CID 166838377) is 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine is CC1C=CC2=C(N=CN(C)C2C(C)C)N1.
What is the InChIKey of 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The InChIKey is ILSMSQHSGLPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)11-10-6-5-9(3)14-12(10)13-7-15(11)4/h5-9,11,14H,1-4H3.
What are the key properties of 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine has a molecular weight of 205.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-propan-2-yl-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166838377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).