3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide

C17H29N5O — CID 72939716

IUPAC3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCCCc1c(C)nc(N)nc1N1CCCC(CCC(N)=O)C1
InChIInChI=1S/C17H29N5O/c1-3-4-7-14-12(2)20-17(19)21-16(14)22-10-5-6-13(11-22)8-9-15(18)23/h13H,3-11H2,1-2H3,(H2,18,23)(H2,19,20,21)
InChIKeyYOSUWNCDKOBXPJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.19
Rot. Bonds7

About 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide

3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 72939716) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID72939716
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCCCc1c(C)nc(N)nc1N1CCCC(CCC(N)=O)C1
InChIInChI=1S/C17H29N5O/c1-3-4-7-14-12(2)20-17(19)21-16(14)22-10-5-6-13(11-22)8-9-15(18)23/h13H,3-11H2,1-2H3,(H2,18,23)(H2,19,20,21)
InChIKeyYOSUWNCDKOBXPJ-UHFFFAOYSA-N
XLogP2.19
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
CID 72927654
5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 72850548
3-[(3R)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205397
3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205398
3-[2-amino-4-(4-cyclopentyl-3-oxopiperazin-1-yl)-6-methylpyrimidin-5-yl]propanoic acid
CID 72940279
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 171359553
3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 95869064
5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72877263
3-[2-amino-4-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-5-yl]propanoic acid
CID 133137954

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide (CID 72939716) is 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide is CCCCc1c(C)nc(N)nc1N1CCCC(CCC(N)=O)C1.
What is the InChIKey of 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is YOSUWNCDKOBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-4-7-14-12(2)20-17(19)21-16(14)22-10-5-6-13(11-22)8-9-15(18)23/h13H,3-11H2,1-2H3,(H2,18,23)(H2,19,20,21).
What are the key properties of 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide?
3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72939716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).