4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one

C18H24N6O — CID 126890144

IUPAC4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(CN2CCC(N(c3ccncn3)C3CC3)CC2)nc1=O
InChIInChI=1S/C18H24N6O/c1-22-9-5-14(21-18(22)25)12-23-10-6-16(7-11-23)24(15-2-3-15)17-4-8-19-13-20-17/h4-5,8-9,13,15-16H,2-3,6-7,10-12H2,1H3
InChIKeyMRIVSWDEYXAMJL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.20
Rot. Bonds5

About 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one

4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one (PubChem CID 126890144) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
PubChem CID126890144
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(CN2CCC(N(c3ccncn3)C3CC3)CC2)nc1=O
InChIInChI=1S/C18H24N6O/c1-22-9-5-14(21-18(22)25)12-23-10-6-16(7-11-23)24(15-2-3-15)17-4-8-19-13-20-17/h4-5,8-9,13,15-16H,2-3,6-7,10-12H2,1H3
InChIKeyMRIVSWDEYXAMJL-UHFFFAOYSA-N
XLogP1.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890116
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126890114
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890340
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 126890176
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172881525
N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890588

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The IUPAC name of 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one (CID 126890144) is 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The canonical SMILES for 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one is Cn1ccc(CN2CCC(N(c3ccncn3)C3CC3)CC2)nc1=O.
What is the InChIKey of 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one?
The InChIKey is MRIVSWDEYXAMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-9-5-14(21-18(22)25)12-23-10-6-16(7-11-23)24(15-2-3-15)17-4-8-19-13-20-17/h4-5,8-9,13,15-16H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one?
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 126890144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).