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

C16H15N5O2 — CID 142609112

IUPAC4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N
InChIInChI=1S/C16H15N5O2/c1-10-4-2-6-18-12(10)9-20-16(22)11-8-19-15(21-14(11)17)13-5-3-7-23-13/h2-8H,9H2,1H3,(H,20,22)(H2,17,19,21)
InChIKeyKUZLOICQIHXRSW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.95
Rot. Bonds4

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

4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (PubChem CID 142609112) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
PubChem CID142609112
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N
InChIInChI=1S/C16H15N5O2/c1-10-4-2-6-18-12(10)9-20-16(22)11-8-19-15(21-14(11)17)13-5-3-7-23-13/h2-8H,9H2,1H3,(H,20,22)(H2,17,19,21)
InChIKeyKUZLOICQIHXRSW-UHFFFAOYSA-N
XLogP1.95
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Las-38096
CID 11716665
2-~{tert}-Butyl-4-(Furan-2-Ylmethylamino)-~{n}-(2-Methylpropyl)-~{n}-[(3~{s})-Piperidin-3-Yl]pyrimidine-5-Carboxamide
CID 59625584
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 25
CID 11426423
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
methyl (3R,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625306
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432286
4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 147319722
Barmastine
CID 71300

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (CID 142609112) is 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is Cc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N.
What is the InChIKey of 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is KUZLOICQIHXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-4-2-6-18-12(10)9-20-16(22)11-8-19-15(21-14(11)17)13-5-3-7-23-13/h2-8H,9H2,1H3,(H,20,22)(H2,17,19,21).
What are the key properties of 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 142609112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).