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

C13H20N4O3 — CID 119574836

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC(C)(CN)C2CC2)c1=O
InChIInChI=1S/C13H20N4O3/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)
InChIKeyFHNAKIDWTNFRRE-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.21
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 119574836) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID119574836
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC(C)(CN)C2CC2)c1=O
InChIInChI=1S/C13H20N4O3/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)
InChIKeyFHNAKIDWTNFRRE-UHFFFAOYSA-N
XLogP-1.21
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.21
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?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 119574836) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is 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?
The InChIKey is FHNAKIDWTNFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/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).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -1.21, 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 is sourced from PubChem (CID 119574836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).