6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C14H14N6 — CID 5328346

IUPAC6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
InChIInChI=1S/C14H14N6/c1-9-4-3-5-10(6-9)19-13-12-11(17-8-18-13)7-16-14(15-2)20-12/h3-8H,1-2H3,(H,15,16,20)(H,17,18,19)
InChIKeyCKGJCAISFNGPHH-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.51
Rot. Bonds3

About 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328346) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328346
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
InChIInChI=1S/C14H14N6/c1-9-4-3-5-10(6-9)19-13-12-11(17-8-18-13)7-16-14(15-2)20-12/h3-8H,1-2H3,(H,15,16,20)(H,17,18,19)
InChIKeyCKGJCAISFNGPHH-UHFFFAOYSA-N
XLogP2.51
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde
CID 18967384
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54064351
2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
CID 151048437
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
CID 19709367

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328346) is 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1.
What is the InChIKey of 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is CKGJCAISFNGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-4-3-5-10(6-9)19-13-12-11(17-8-18-13)7-16-14(15-2)20-12/h3-8H,1-2H3,(H,15,16,20)(H,17,18,19).
What are the key properties of 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 266.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).