6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine

C14H13Cl2N3 — CID 80948882

IUPAC6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c1-8-2-5-11(10(15)6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19)
InChIKeyVMNRROUWWRIQNG-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.71
Rot. Bonds3

About 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine

6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine (PubChem CID 80948882) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
PubChem CID80948882
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c1-8-2-5-11(10(15)6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19)
InChIKeyVMNRROUWWRIQNG-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 82767025
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine (CID 80948882) is 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine is Cc1ccc(Nc2cc(Cl)nc(C3CC3)n2)c(Cl)c1.
What is the InChIKey of 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is VMNRROUWWRIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-8-2-5-11(10(15)6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine?
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 294.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 80948882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).