N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride

C13H21ClN4O3 — CID 119574835

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)NC(C)(CN)C2CC2)c1=O
InChIInChI=1S/C13H20N4O3.ClH/c1-13(8-14,9-3-4-9)15-10(18)7-17-6-5-11(19)16(2)12(17)20;/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18);1H
InChIKeyLIARYJYPXWZLQU-UHFFFAOYSA-N
MW316.79 g/mol
LogP-0.79
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride (PubChem CID 119574835) has the molecular formula C13H21ClN4O3 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
PubChem CID119574835
Molecular FormulaC13H21ClN4O3
Molecular Weight316.79 g/mol
Exact Mass316.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)NC(C)(CN)C2CC2)c1=O
InChIInChI=1S/C13H20N4O3.ClH/c1-13(8-14,9-3-4-9)15-10(18)7-17-6-5-11(19)16(2)12(17)20;/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18);1H
InChIKeyLIARYJYPXWZLQU-UHFFFAOYSA-N
XLogP-0.79
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride (CID 119574835) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride is Cl.Cn1c(=O)ccn(CC(=O)NC(C)(CN)C2CC2)c1=O.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
The InChIKey is LIARYJYPXWZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.ClH/c1-13(8-14,9-3-4-9)15-10(18)7-17-6-5-11(19)16(2)12(17)20;/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119574835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).