2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine

C7H6ClN5 — CID 153194025

IUPAC2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCc1ncnc2c(N)nc(Cl)nc12
InChIInChI=1S/C7H6ClN5/c1-3-4-5(11-2-10-3)6(9)13-7(8)12-4/h2H,1H3,(H2,9,12,13)
InChIKeyWIPPXKAOJJGXLQ-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.96
Rot. Bonds

About 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine

2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 153194025) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID153194025
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCc1ncnc2c(N)nc(Cl)nc12
InChIInChI=1S/C7H6ClN5/c1-3-4-5(11-2-10-3)6(9)13-7(8)12-4/h2H,1H3,(H2,9,12,13)
InChIKeyWIPPXKAOJJGXLQ-UHFFFAOYSA-N
XLogP0.96
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4,8-dimethylpyrido[3,2-d]pyrimidine
CID 155340921
2-chloro-8-N-[5-(methoxymethyl)-2-methylphenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 90724618
2-chloropteridin-4-amine
CID 12848072
9-(aminomethyl)-2-chloropurin-6-amine
CID 156571755
2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
potassium 2-chloropurin-9-id-6-amine
CID 58049091
5-bromo-6-methylpyrimidin-4-amine
CID 604534
2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
CID 162676318
5-chloro-3-methylpyrazin-2-amine
CID 53424289
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
4-chloro-5,6-dimethylpyrimidine
CID 12600389
4-chloro-8-methylpyrido[3,4-d]pyrimidine
CID 162341396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine (CID 153194025) is 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine is Cc1ncnc2c(N)nc(Cl)nc12.
What is the InChIKey of 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is WIPPXKAOJJGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c1-3-4-5(11-2-10-3)6(9)13-7(8)12-4/h2H,1H3,(H2,9,12,13).
What are the key properties of 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine?
2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 195.61 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153194025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).