N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C20H19FN6O2 — CID 146525536

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H19FN6O2/c21-15-3-1-13(2-4-15)17-6-5-16(22)18(25-17)26-19(28)14-11-23-20(24-12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10,22H2,(H,25,26,28)
InChIKeyXKDWOGOLXPJYDY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.35
Rot. Bonds4

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

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 146525536) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID146525536
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H19FN6O2/c21-15-3-1-13(2-4-15)17-6-5-16(22)18(25-17)26-19(28)14-11-23-20(24-12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10,22H2,(H,25,26,28)
InChIKeyXKDWOGOLXPJYDY-UHFFFAOYSA-N
XLogP2.35
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 146525536) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XKDWOGOLXPJYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-15-3-1-13(2-4-15)17-6-5-16(22)18(25-17)26-19(28)14-11-23-20(24-12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10,22H2,(H,25,26,28).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 146525536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).