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

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

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 118
CID 44520982
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 122
CID 11232232
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975

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).