1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone

C12H19N5O — CID 110256085

IUPAC1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-14-7-11(18)17-6-2-3-9(8-17)10-4-5-15-12(13)16-10/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,15,16)
InChIKeyLAKPBIJUNFUTAF-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.02
Rot. Bonds3

About 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone

1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 110256085) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID110256085
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(c2ccnc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-14-7-11(18)17-6-2-3-9(8-17)10-4-5-15-12(13)16-10/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,15,16)
InChIKeyLAKPBIJUNFUTAF-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 95843219
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-bromo-2-chlorophenoxy)ethanone
CID 154755220

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone (CID 110256085) is 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC(c2ccnc(N)n2)C1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is LAKPBIJUNFUTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-7-11(18)17-6-2-3-9(8-17)10-4-5-15-12(13)16-10/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,15,16).
What are the key properties of 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 249.32 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 110256085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).