N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide

C10H16N4O3 — CID 19023641

IUPACN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide
SMILESCC(C)CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)4-14(5-15)7-8(11)12-10(17)13(3)9(7)16/h5-6H,4,11H2,1-3H3,(H,12,17)
InChIKeyFZJLMEQDSIMOHF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.73
Rot. Bonds4

About N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide

N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide (PubChem CID 19023641) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide.

Molecular Properties

Compound NameN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide
PubChem CID19023641
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide
SMILESCC(C)CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)4-14(5-15)7-8(11)12-10(17)13(3)9(7)16/h5-6H,4,11H2,1-3H3,(H,12,17)
InChIKeyFZJLMEQDSIMOHF-UHFFFAOYSA-N
XLogP-0.73
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide?
The IUPAC name of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide (CID 19023641) is N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide.
What is the SMILES notation for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide?
The canonical SMILES for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide is CC(C)CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide?
The InChIKey is FZJLMEQDSIMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)4-14(5-15)7-8(11)12-10(17)13(3)9(7)16/h5-6H,4,11H2,1-3H3,(H,12,17).
What are the key properties of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide?
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide has a molecular weight of 240.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide is sourced from PubChem (CID 19023641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).