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

C16H17N5O2 — CID 44520980

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1
InChIInChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyZGQWFONFARBCNF-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.90
Rot. Bonds4

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

2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520980) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID44520980
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1
InChIInChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyZGQWFONFARBCNF-UHFFFAOYSA-N
XLogP1.90
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide (CID 44520980) is 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZGQWFONFARBCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).