2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C17H19N5O2 — CID 11381773

IUPAC2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1
InChIInChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21)
InChIKeyLEABFFRGVMYHEL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 11381773) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID11381773
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1
InChIInChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21)
InChIKeyLEABFFRGVMYHEL-UHFFFAOYSA-N
XLogP2.20
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 11381773) is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is LEABFFRGVMYHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11381773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).