6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C15H23ClN4 — CID 80951503

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)14-9-13(16)17-15(18-14)12-3-4-12/h9,11-12H,3-8,10H2,1-2H3
InChIKeyPRVSPVRZXTXFLZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.79
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80951503) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID80951503
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)14-9-13(16)17-15(18-14)12-3-4-12/h9,11-12H,3-8,10H2,1-2H3
InChIKeyPRVSPVRZXTXFLZ-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 80951503) is 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN1CCC(CN(C)c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is PRVSPVRZXTXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)14-9-13(16)17-15(18-14)12-3-4-12/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 294.83 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80951503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).