6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine

C14H22ClN3 — CID 63735945

IUPAC6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)C1CCCCC1
InChIInChI=1S/C14H22ClN3/c1-3-7-12-13(15)16-10-17-14(12)18(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3
InChIKeyFSAHVUVVVYHTRK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds4

About 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine

6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 63735945) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID63735945
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)C1CCCCC1
InChIInChI=1S/C14H22ClN3/c1-3-7-12-13(15)16-10-17-14(12)18(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3
InChIKeyFSAHVUVVVYHTRK-UHFFFAOYSA-N
XLogP3.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 55230830
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 63730164
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine (CID 63735945) is 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)C1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is FSAHVUVVVYHTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-7-12-13(15)16-10-17-14(12)18(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine?
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63735945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).