2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide

C17H17N5O3 — CID 11739282

IUPAC2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIInChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyMNNAJXPKIBKJNB-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.79
Rot. Bonds6

About 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide

2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 11739282) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID11739282
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIInChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyMNNAJXPKIBKJNB-UHFFFAOYSA-N
XLogP1.79
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 11739282) is 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide is COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is MNNAJXPKIBKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22).
What are the key properties of 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 11739282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).