2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C17H17N5O2 — CID 44520987

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)o1
InChIInChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyDXUBNDHKMQSSDJ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520987) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520987
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)o1
InChIInChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyDXUBNDHKMQSSDJ-UHFFFAOYSA-N
XLogP2.26
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.26
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-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520987) is 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)o1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DXUBNDHKMQSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.26, 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-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).