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

C15H19ClN6 — CID 163345440

IUPAC5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nn1
InChIInChI=1S/C15H19ClN6/c1-11-3-4-14(20-19-11)22-7-5-13(6-8-22)21(2)15-17-9-12(16)10-18-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyOLZNKFMJYQSEDX-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.33
Rot. Bonds3

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

5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 163345440) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID163345440
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nn1
InChIInChI=1S/C15H19ClN6/c1-11-3-4-14(20-19-11)22-7-5-13(6-8-22)21(2)15-17-9-12(16)10-18-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyOLZNKFMJYQSEDX-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
CID 163345578
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
CID 155942310
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
CID 75377306
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine (CID 163345440) is 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine is Cc1ccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nn1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is OLZNKFMJYQSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-11-3-4-14(20-19-11)22-7-5-13(6-8-22)21(2)15-17-9-12(16)10-18-15/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 318.81 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163345440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).