5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H18N4O — CID 55043487

IUPAC5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-7(2)11-14-6-9(13)10(16-11)12(17)15-5-8-3-4-8/h6-8H,3-5,13H2,1-2H3,(H,15,17)
InChIKeyLWAGTACJTMFVKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.32
Rot. Bonds4

About 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 55043487) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID55043487
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-7(2)11-14-6-9(13)10(16-11)12(17)15-5-8-3-4-8/h6-8H,3-5,13H2,1-2H3,(H,15,17)
InChIKeyLWAGTACJTMFVKU-UHFFFAOYSA-N
XLogP1.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 55043487) is 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCC2CC2)n1.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is LWAGTACJTMFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(2)11-14-6-9(13)10(16-11)12(17)15-5-8-3-4-8/h6-8H,3-5,13H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55043487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).