2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide

C11H16N4O — CID 54853844

IUPAC2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C1CC1
InChIInChI=1S/C11H16N4O/c1-3-13-10(16)8-6(2)14-11(12)15-9(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyVCBMXLIXXFMDME-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide

2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide (PubChem CID 54853844) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide
PubChem CID54853844
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1C1CC1
InChIInChI=1S/C11H16N4O/c1-3-13-10(16)8-6(2)14-11(12)15-9(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyVCBMXLIXXFMDME-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide (CID 54853844) is 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1C1CC1.
What is the InChIKey of 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is VCBMXLIXXFMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-13-10(16)8-6(2)14-11(12)15-9(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide?
2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).