N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide

C10H16N4O3 — CID 4116255

IUPACN-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide
SMILESCC(C)Cn1c(N)c(NC=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)4-14-8(11)7(12-5-15)9(16)13(3)10(14)17/h5-6H,4,11H2,1-3H3,(H,12,15)
InChIKeyLMOKKAVXMYWEOD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.65
Rot. Bonds4

About N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide

N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide (PubChem CID 4116255) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide
PubChem CID4116255
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide
SMILESCC(C)Cn1c(N)c(NC=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)4-14-8(11)7(12-5-15)9(16)13(3)10(14)17/h5-6H,4,11H2,1-3H3,(H,12,15)
InChIKeyLMOKKAVXMYWEOD-UHFFFAOYSA-N
XLogP-0.65
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide?
The IUPAC name of N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide (CID 4116255) is N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide.
What is the SMILES notation for N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide?
The canonical SMILES for N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide is CC(C)Cn1c(N)c(NC=O)c(=O)n(C)c1=O.
What is the InChIKey of N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide?
The InChIKey is LMOKKAVXMYWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)4-14-8(11)7(12-5-15)9(16)13(3)10(14)17/h5-6H,4,11H2,1-3H3,(H,12,15).
What are the key properties of N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide?
N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide has a molecular weight of 240.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide is sourced from PubChem (CID 4116255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).