1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone

C12H19N5O — CID 95843219

IUPAC1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC[C@@H]1c1ccnc(N)n1
InChIInChI=1S/C12H19N5O/c1-14-8-11(18)17-7-3-2-4-10(17)9-5-6-15-12(13)16-9/h5-6,10,14H,2-4,7-8H2,1H3,(H2,13,15,16)/t10-/m1/s1
InChIKeyKXWRMJIZEFQCLB-SNVBAGLBSA-N
MW249.32 g/mol
LogP0.33
Rot. Bonds3

About 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone

1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 95843219) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID95843219
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC[C@@H]1c1ccnc(N)n1
InChIInChI=1S/C12H19N5O/c1-14-8-11(18)17-7-3-2-4-10(17)9-5-6-15-12(13)16-9/h5-6,10,14H,2-4,7-8H2,1H3,(H2,13,15,16)/t10-/m1/s1
InChIKeyKXWRMJIZEFQCLB-SNVBAGLBSA-N
XLogP0.33
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842847
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone (CID 95843219) is 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC[C@@H]1c1ccnc(N)n1.
What is the InChIKey of 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is KXWRMJIZEFQCLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-8-11(18)17-7-3-2-4-10(17)9-5-6-15-12(13)16-9/h5-6,10,14H,2-4,7-8H2,1H3,(H2,13,15,16)/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 249.32 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 95843219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).