4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C20H28N4 — CID 112899886

IUPAC4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)17-11-7-8-12-18(17)23-20-21-14-13-19(24-20)22-16-9-5-3-4-6-10-16/h7-8,11-16H,3-6,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyXRLMPKUJUVSAPQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.48
Rot. Bonds5

About 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112899886) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112899886
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)17-11-7-8-12-18(17)23-20-21-14-13-19(24-20)22-16-9-5-3-4-6-10-16/h7-8,11-16H,3-6,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyXRLMPKUJUVSAPQ-UHFFFAOYSA-N
XLogP5.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899905
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903112
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
4-N-[3-(dimethylamino)propyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887659

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112899886) is 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1nccc(NC2CCCCCC2)n1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is XRLMPKUJUVSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15(2)17-11-7-8-12-18(17)23-20-21-14-13-19(24-20)22-16-9-5-3-4-6-10-16/h7-8,11-16H,3-6,9-10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).