N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

C14H24N4O2 — CID 136974382

IUPACN-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-5-10(4)16-12(19)6-7-15-11-8-13(20)18-14(17-11)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,19)(H2,15,17,18,20)
InChIKeyBQUNHPDNXFFDRN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.61
Rot. Bonds7

About N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136974382) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136974382
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-5-10(4)16-12(19)6-7-15-11-8-13(20)18-14(17-11)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,19)(H2,15,17,18,20)
InChIKeyBQUNHPDNXFFDRN-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543
4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 136974382) is N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CCC(C)NC(=O)CCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is BQUNHPDNXFFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-10(4)16-12(19)6-7-15-11-8-13(20)18-14(17-11)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,19)(H2,15,17,18,20).
What are the key properties of N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136974382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).