2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide

C12H18N4O3 — CID 55035676

IUPAC2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CC1N
InChIInChI=1S/C12H18N4O3/c1-14(11(18)8-4-9(8)13)5-7-6-15(2)12(19)16(3)10(7)17/h6,8-9H,4-5,13H2,1-3H3
InChIKeyBLPCTHIOXWSQTD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.61
Rot. Bonds3

About 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide

2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 55035676) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID55035676
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CC1N
InChIInChI=1S/C12H18N4O3/c1-14(11(18)8-4-9(8)13)5-7-6-15(2)12(19)16(3)10(7)17/h6,8-9H,4-5,13H2,1-3H3
InChIKeyBLPCTHIOXWSQTD-UHFFFAOYSA-N
XLogP-1.61
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide (CID 55035676) is 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C1CC1N.
What is the InChIKey of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is BLPCTHIOXWSQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14(11(18)8-4-9(8)13)5-7-6-15(2)12(19)16(3)10(7)17/h6,8-9H,4-5,13H2,1-3H3.
What are the key properties of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide?
2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55035676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).