N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine

C12H8ClN5 — CID 139885477

IUPACN-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(Nc2ncnc3cncnc23)cc1
InChIInChI=1S/C12H8ClN5/c13-8-1-3-9(4-2-8)18-12-11-10(15-7-17-12)5-14-6-16-11/h1-7H,(H,15,17,18)
InChIKeyALIQRYGLAKNBLI-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.82
Rot. Bonds2

About N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine

N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 139885477) has the molecular formula C12H8ClN5 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine
PubChem CID139885477
Molecular FormulaC12H8ClN5
Molecular Weight257.68 g/mol
Exact Mass257.05
IUPAC NameN-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(Nc2ncnc3cncnc23)cc1
InChIInChI=1S/C12H8ClN5/c13-8-1-3-9(4-2-8)18-12-11-10(15-7-17-12)5-14-6-16-11/h1-7H,(H,15,17,18)
InChIKeyALIQRYGLAKNBLI-UHFFFAOYSA-N
XLogP2.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709325
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071876
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
N-(4-chlorophenyl)-6-ethoxypteridin-4-amine
CID 70678186
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine (CID 139885477) is N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine is Clc1ccc(Nc2ncnc3cncnc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is ALIQRYGLAKNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5/c13-8-1-3-9(4-2-8)18-12-11-10(15-7-17-12)5-14-6-16-11/h1-7H,(H,15,17,18).
What are the key properties of N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine?
N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 257.68 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139885477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).