cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

C13H18N4O — CID 126887079

IUPACcyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H18N4O/c18-13(10-1-2-10)17-7-4-11(5-8-17)16-12-3-6-14-9-15-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,14,15,16)
InChIKeyRAQQHKCNPCFRDO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.29
Rot. Bonds3

About cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 126887079) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID126887079
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namecyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H18N4O/c18-13(10-1-2-10)17-7-4-11(5-8-17)16-12-3-6-14-9-15-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,14,15,16)
InChIKeyRAQQHKCNPCFRDO-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 126887079) is cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is RAQQHKCNPCFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(10-1-2-10)17-7-4-11(5-8-17)16-12-3-6-14-9-15-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,14,15,16).
What are the key properties of cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 246.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 126887079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).