1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine

C16H19ClN4 — CID 103278417

IUPAC1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
SMILESCc1cnc(N2CCCC(N)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4/c1-11-9-19-16(21-8-2-3-14(18)10-21)20-15(11)12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10,18H2,1H3
InChIKeyRLXNJQYAFVWMBD-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.03
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine

1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine (PubChem CID 103278417) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
PubChem CID103278417
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
SMILESCc1cnc(N2CCCC(N)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4/c1-11-9-19-16(21-8-2-3-14(18)10-21)20-15(11)12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10,18H2,1H3
InChIKeyRLXNJQYAFVWMBD-UHFFFAOYSA-N
XLogP3.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine (CID 103278417) is 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine is Cc1cnc(N2CCCC(N)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine?
The InChIKey is RLXNJQYAFVWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-11-9-19-16(21-8-2-3-14(18)10-21)20-15(11)12-4-6-13(17)7-5-12/h4-7,9,14H,2-3,8,10,18H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine?
1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine is sourced from PubChem (CID 103278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).