N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide

C13H22N4O3 — CID 79667775

IUPACN-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-4-5-17(8-13(2,3)7-14)11(19)9-6-15-12(20)16-10(9)18/h6H,4-5,7-8,14H2,1-3H3,(H2,15,16,18,20)
InChIKeyWSCJFLGBRSOIDD-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.10
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide (PubChem CID 79667775) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
PubChem CID79667775
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-4-5-17(8-13(2,3)7-14)11(19)9-6-15-12(20)16-10(9)18/h6H,4-5,7-8,14H2,1-3H3,(H2,15,16,18,20)
InChIKeyWSCJFLGBRSOIDD-UHFFFAOYSA-N
XLogP-0.10
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide (CID 79667775) is N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide?
The InChIKey is WSCJFLGBRSOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-5-17(8-13(2,3)7-14)11(19)9-6-15-12(20)16-10(9)18/h6H,4-5,7-8,14H2,1-3H3,(H2,15,16,18,20).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 79667775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).