ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C19H33N5 — CID 176670722

IUPACethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCC.CCCCC(CC)Nc1nc(NC)c2c(C)cc(C)nc2n1
InChIInChI=1S/C17H27N5.C2H6/c1-6-8-9-13(7-2)20-17-21-15(18-5)14-11(3)10-12(4)19-16(14)22-17;1-2/h10,13H,6-9H2,1-5H3,(H2,18,19,20,21,22);1-2H3
InChIKeyYCLNYBVQXZCCEL-UHFFFAOYSA-N
MW331.51 g/mol
LogP5.09
Rot. Bonds7

About ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176670722) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176670722
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Nameethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCC.CCCCC(CC)Nc1nc(NC)c2c(C)cc(C)nc2n1
InChIInChI=1S/C17H27N5.C2H6/c1-6-8-9-13(7-2)20-17-21-15(18-5)14-11(3)10-12(4)19-16(14)22-17;1-2/h10,13H,6-9H2,1-5H3,(H2,18,19,20,21,22);1-2H3
InChIKeyYCLNYBVQXZCCEL-UHFFFAOYSA-N
XLogP5.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.51
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
[(2S,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
CID 176670885
[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176670951
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
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
1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
CID 176671160
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
3-bromo-N-heptan-3-yl-4-methylaniline
CID 63946952
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106028883
5-fluoro-2-(heptan-3-ylamino)benzonitrile
CID 82015181

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176670722) is ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is CC.CCCCC(CC)Nc1nc(NC)c2c(C)cc(C)nc2n1.
What is the InChIKey of ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YCLNYBVQXZCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5.C2H6/c1-6-8-9-13(7-2)20-17-21-15(18-5)14-11(3)10-12(4)19-16(14)22-17;1-2/h10,13H,6-9H2,1-5H3,(H2,18,19,20,21,22);1-2H3.
What are the key properties of ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 331.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176670722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).