4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine

C15H15ClN6 — CID 54064351

IUPAC4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCC(C)Nc1ncc2ncnc(Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C15H15ClN6/c1-9(2)20-15-17-7-12-13(22-15)14(19-8-18-12)21-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,20,22)(H,18,19,21)
InChIKeyMBXFWHQLRPPAOH-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.64
Rot. Bonds4

About 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 54064351) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID54064351
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCC(C)Nc1ncc2ncnc(Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C15H15ClN6/c1-9(2)20-15-17-7-12-13(22-15)14(19-8-18-12)21-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,20,22)(H,18,19,21)
InChIKeyMBXFWHQLRPPAOH-UHFFFAOYSA-N
XLogP3.64
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
methyl 2-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propanoate
CID 18967297
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
2-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propane-1,3-diol
CID 19708999
ethyl 2-[[4-[[4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]amino]acetate
CID 54391019
4-N-(3-chlorophenyl)-6-N-[1-[[methoxy(methyl)phosphoryl]methyl]piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 57009604
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
4-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 162429052

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 54064351) is 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine is CC(C)Nc1ncc2ncnc(Nc3cccc(Cl)c3)c2n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MBXFWHQLRPPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-9(2)20-15-17-7-12-13(22-15)14(19-8-18-12)21-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,20,22)(H,18,19,21).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 314.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 54064351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).