N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide

C15H25N5O2 — CID 136861496

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-20-8-2-3-11(10-20)4-5-14(21)17-7-6-13-18-12(16)9-15(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,21)(H3,16,18,19,22)/t11-/m1/s1
InChIKeyAWPQBUWBRLWJOW-LLVKDONJSA-N
MW307.40 g/mol
LogP0.13
Rot. Bonds6

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide (PubChem CID 136861496) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
PubChem CID136861496
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-20-8-2-3-11(10-20)4-5-14(21)17-7-6-13-18-12(16)9-15(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,21)(H3,16,18,19,22)/t11-/m1/s1
InChIKeyAWPQBUWBRLWJOW-LLVKDONJSA-N
XLogP0.13
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide with MolForge

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Related Compounds

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 154885465
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 136661986
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97146849
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
CID 137222496
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide (CID 136861496) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide is CN1CCC[C@H](CCC(=O)NCCc2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is AWPQBUWBRLWJOW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-20-8-2-3-11(10-20)4-5-14(21)17-7-6-13-18-12(16)9-15(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,21)(H3,16,18,19,22)/t11-/m1/s1.
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 136861496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).