2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide

C14H24N4O2 — CID 137148895

IUPAC2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCCC(C)CNc1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyMZOJBXDKRIQKKG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds6

About 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide

2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide (PubChem CID 137148895) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
PubChem CID137148895
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCCC(C)CNc1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyMZOJBXDKRIQKKG-UHFFFAOYSA-N
XLogP2.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
n-{2-Amino-6-[(3-methylbutyl)amino]-4-oxo-1,4-dihydropyrimidin-5-yl}formamide
CID 135408631
2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
CID 137300524
2,2-dimethyl-N-[(6S,7R)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide
CID 135761078
1,2,3-trimethyl-1-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]guanidine
CID 20668484
2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide
CID 126599095
2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide
CID 137069333
N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 137119374
N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 137148853
2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
CID 137148862
N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 137148866
2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 137259026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide (CID 137148895) is 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide is CCC(C)CNc1c(C)nc(NC(=O)C(C)C)[nH]c1=O.
What is the InChIKey of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The InChIKey is MZOJBXDKRIQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h8-9,15H,6-7H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide has a molecular weight of 280.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 137148895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).