1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine

C16H19ClN4O — CID 56768103

IUPAC1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCOCc1cc(N2CCC(N)C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-22-10-14-8-15(21-7-6-13(18)9-21)20-16(19-14)11-2-4-12(17)5-3-11/h2-5,8,13H,6-7,9-10,18H2,1H3
InChIKeyPGRWPLNOGQVKCW-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine

1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 56768103) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID56768103
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCOCc1cc(N2CCC(N)C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-22-10-14-8-15(21-7-6-13(18)9-21)20-16(19-14)11-2-4-12(17)5-3-11/h2-5,8,13H,6-7,9-10,18H2,1H3
InChIKeyPGRWPLNOGQVKCW-UHFFFAOYSA-N
XLogP2.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 56768103) is 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine is COCc1cc(N2CCC(N)C2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is PGRWPLNOGQVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-22-10-14-8-15(21-7-6-13(18)9-21)20-16(19-14)11-2-4-12(17)5-3-11/h2-5,8,13H,6-7,9-10,18H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 318.81 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 56768103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).