N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

C19H17FN6O — CID 146525529

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(NC2CC2)nc1
InChIInChI=1S/C19H17FN6O/c20-13-3-1-11(2-4-13)16-8-7-15(21)17(25-16)26-18(27)12-9-22-19(23-10-12)24-14-5-6-14/h1-4,7-10,14H,5-6,21H2,(H,22,23,24)(H,25,26,27)
InChIKeySTMDVAPHVHSTPD-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.09
Rot. Bonds5

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 146525529) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID146525529
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(NC2CC2)nc1
InChIInChI=1S/C19H17FN6O/c20-13-3-1-11(2-4-13)16-8-7-15(21)17(25-16)26-18(27)12-9-22-19(23-10-12)24-14-5-6-14/h1-4,7-10,14H,5-6,21H2,(H,22,23,24)(H,25,26,27)
InChIKeySTMDVAPHVHSTPD-UHFFFAOYSA-N
XLogP3.09
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 146525529) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(NC2CC2)nc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is STMDVAPHVHSTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-13-3-1-11(2-4-13)16-8-7-15(21)17(25-16)26-18(27)12-9-22-19(23-10-12)24-14-5-6-14/h1-4,7-10,14H,5-6,21H2,(H,22,23,24)(H,25,26,27).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 146525529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).