2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C18H26N6 — CID 176671228

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCN3CCCC23)nc2nc(C)cc(C)c12
InChIInChI=1S/C18H26N6/c1-11-10-12(2)20-17-15(11)16(19-3)22-18(23-17)21-13-6-4-8-24-9-5-7-14(13)24/h10,13-14H,4-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyHYOQWHKEJFBBSE-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.72
Rot. Bonds3

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671228) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671228
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCN3CCCC23)nc2nc(C)cc(C)c12
InChIInChI=1S/C18H26N6/c1-11-10-12(2)20-17-15(11)16(19-3)22-18(23-17)21-13-6-4-8-24-9-5-7-14(13)24/h10,13-14H,4-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyHYOQWHKEJFBBSE-UHFFFAOYSA-N
XLogP2.72
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
CID 176671160
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186
4-N,5,7-trimethyl-2-N-(5-methylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670666
[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176670951
[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176671490
[(2S,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
CID 176670885
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72858601
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 80904548
2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670932

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671228) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2CCCN3CCCC23)nc2nc(C)cc(C)c12.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HYOQWHKEJFBBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-11-10-12(2)20-17-15(11)16(19-3)22-18(23-17)21-13-6-4-8-24-9-5-7-14(13)24/h10,13-14H,4-9H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).