2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide

C15H21ClN4O — CID 80980160

IUPAC2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21ClN4O/c1-9-13(16)18-14(11-2-3-11)19-15(9)20-6-4-10(5-7-20)8-12(17)21/h10-11H,2-8H2,1H3,(H2,17,21)
InChIKeyAMXRMRULPUDEOU-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 80980160) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID80980160
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21ClN4O/c1-9-13(16)18-14(11-2-3-11)19-15(9)20-6-4-10(5-7-20)8-12(17)21/h10-11H,2-8H2,1H3,(H2,17,21)
InChIKeyAMXRMRULPUDEOU-UHFFFAOYSA-N
XLogP2.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80978004
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80806727
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide (CID 80980160) is 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide is Cc1c(Cl)nc(C2CC2)nc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is AMXRMRULPUDEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-9-13(16)18-14(11-2-3-11)19-15(9)20-6-4-10(5-7-20)8-12(17)21/h10-11H,2-8H2,1H3,(H2,17,21).
What are the key properties of 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 80980160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).