6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine

C16H23ClN6 — CID 133330046

IUPAC6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C16H23ClN6/c1-4-14-15(17)19-11(2)20-16(14)21-12-6-5-7-23(9-12)13-8-18-22(3)10-13/h8,10,12H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyZULGRVYCYTVIEK-UHFFFAOYSA-N
MW334.86 g/mol
LogP2.82
Rot. Bonds4

About 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine

6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 133330046) has the molecular formula C16H23ClN6 and a molecular weight of 334.86 g/mol. Its IUPAC name is 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID133330046
Molecular FormulaC16H23ClN6
Molecular Weight334.86 g/mol
Exact Mass334.17
IUPAC Name6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C16H23ClN6/c1-4-14-15(17)19-11(2)20-16(14)21-12-6-5-7-23(9-12)13-8-18-22(3)10-13/h8,10,12H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyZULGRVYCYTVIEK-UHFFFAOYSA-N
XLogP2.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine (CID 133330046) is 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine is CCc1c(Cl)nc(C)nc1NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is ZULGRVYCYTVIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6/c1-4-14-15(17)19-11(2)20-16(14)21-12-6-5-7-23(9-12)13-8-18-22(3)10-13/h8,10,12H,4-7,9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine?
6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 334.86 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 133330046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).