2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide

C11H17N5O — CID 78930041

IUPAC2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C11H17N5O/c12-9-6-11(15-7-14-9)16-3-1-8(2-4-16)5-10(13)17/h6-8H,1-5H2,(H2,13,17)(H2,12,14,15)
InChIKeyZOHPECKHPCKRQT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.15
Rot. Bonds3

About 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 78930041) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID78930041
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C11H17N5O/c12-9-6-11(15-7-14-9)16-3-1-8(2-4-16)5-10(13)17/h6-8H,1-5H2,(H2,13,17)(H2,12,14,15)
InChIKeyZOHPECKHPCKRQT-UHFFFAOYSA-N
XLogP0.15
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729
1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
[1-[6-(Cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155542518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide (CID 78930041) is 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2cc(N)ncn2)CC1.
What is the InChIKey of 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is ZOHPECKHPCKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-9-6-11(15-7-14-9)16-3-1-8(2-4-16)5-10(13)17/h6-8H,1-5H2,(H2,13,17)(H2,12,14,15).
What are the key properties of 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 78930041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).