N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide

C12H20N4O — CID 55152673

IUPACN-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nccc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9(2)15-11(17)6-8-14-12-13-7-5-10(3)16-12/h5,7,9H,4,6,8H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyGDRGEGRUEOSJRS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds6

About N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide

N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide (PubChem CID 55152673) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
PubChem CID55152673
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nccc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9(2)15-11(17)6-8-14-12-13-7-5-10(3)16-12/h5,7,9H,4,6,8H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyGDRGEGRUEOSJRS-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-(4-methylpyrimidin-2-yl)thiourea
CID 133203103
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide (CID 55152673) is N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide is CCC(C)NC(=O)CCNc1nccc(C)n1.
What is the InChIKey of N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide?
The InChIKey is GDRGEGRUEOSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9(2)15-11(17)6-8-14-12-13-7-5-10(3)16-12/h5,7,9H,4,6,8H2,1-3H3,(H,15,17)(H,13,14,16).
What are the key properties of N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide?
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 55152673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).