6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine

C16H18ClN3O — CID 80966029

IUPAC6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Cl)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3O/c1-2-9-18-14-10-15(20-16(19-14)11-3-4-11)21-13-7-5-12(17)6-8-13/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyGMZPGYXGIPDZHM-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.62
Rot. Bonds6

About 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine

6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine (PubChem CID 80966029) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
PubChem CID80966029
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Cl)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3O/c1-2-9-18-14-10-15(20-16(19-14)11-3-4-11)21-13-7-5-12(17)6-8-13/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyGMZPGYXGIPDZHM-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598687
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine (CID 80966029) is 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Cl)cc2)nc(C2CC2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
The InChIKey is GMZPGYXGIPDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-9-18-14-10-15(20-16(19-14)11-3-4-11)21-13-7-5-12(17)6-8-13/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine?
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80966029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).