6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine

C13H15ClN4 — CID 60726133

IUPAC6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
SMILESCC(C)c1cccc(Nc2ncnc(Cl)c2N)c1
InChIInChI=1S/C13H15ClN4/c1-8(2)9-4-3-5-10(6-9)18-13-11(15)12(14)16-7-17-13/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyNDPPVGBPUSTGJG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.58
Rot. Bonds3

About 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine (PubChem CID 60726133) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
PubChem CID60726133
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
SMILESCC(C)c1cccc(Nc2ncnc(Cl)c2N)c1
InChIInChI=1S/C13H15ClN4/c1-8(2)9-4-3-5-10(6-9)18-13-11(15)12(14)16-7-17-13/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyNDPPVGBPUSTGJG-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734214
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 102754630
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
5-nitro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80759446
6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine (CID 60726133) is 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine is CC(C)c1cccc(Nc2ncnc(Cl)c2N)c1.
What is the InChIKey of 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The InChIKey is NDPPVGBPUSTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8(2)9-4-3-5-10(6-9)18-13-11(15)12(14)16-7-17-13/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 60726133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).