5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine

C16H20ClN5 — CID 163345578

IUPAC5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-12-4-3-5-15(20-12)22-8-6-14(7-9-22)21(2)16-18-10-13(17)11-19-16/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyJBNQUNNHLNAYQB-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 163345578) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID163345578
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-12-4-3-5-15(20-12)22-8-6-14(7-9-22)21(2)16-18-10-13(17)11-19-16/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyJBNQUNNHLNAYQB-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine (CID 163345578) is 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine is Cc1cccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is JBNQUNNHLNAYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-12-4-3-5-15(20-12)22-8-6-14(7-9-22)21(2)16-18-10-13(17)11-19-16/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 317.82 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163345578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).