4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine

C15H13ClN6 — CID 19709325

IUPAC4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1
InChIInChI=1S/C15H13ClN6/c16-9-1-3-10(4-2-9)20-14-13-12(18-8-19-14)7-17-15(22-13)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,21,22)(H,18,19,20)
InChIKeyWQGNYZZMWOZOJU-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.39
Rot. Bonds4

About 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 19709325) has the molecular formula C15H13ClN6 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID19709325
Molecular FormulaC15H13ClN6
Molecular Weight312.76 g/mol
Exact Mass312.09
IUPAC Name4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1
InChIInChI=1S/C15H13ClN6/c16-9-1-3-10(4-2-9)20-14-13-12(18-8-19-14)7-17-15(22-13)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,21,22)(H,18,19,20)
InChIKeyWQGNYZZMWOZOJU-UHFFFAOYSA-N
XLogP3.39
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Falnidamol
CID 6918508
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(3-bromophenyl)-6-chloropyrido[3,4-d]pyrimidin-4-amine
CID 5328259
N-(3-bromophenyl)-6-chloropyrido[3,2-d]pyrimidin-4-amine
CID 5328275
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 19709325) is 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine is Clc1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is WQGNYZZMWOZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6/c16-9-1-3-10(4-2-9)20-14-13-12(18-8-19-14)7-17-15(22-13)21-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,21,22)(H,18,19,20).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 312.76 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 19709325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).