2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide

C14H16FN5O — CID 170960592

IUPAC2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)nc1C(C)C
InChIInChI=1S/C14H16FN5O/c1-8(2)12-10(13(21)16-3)7-18-14(20-12)19-11-5-4-9(15)6-17-11/h4-8H,1-3H3,(H,16,21)(H,17,18,19,20)
InChIKeyASQZUTYVLKCWBX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.24
Rot. Bonds4

About 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide

2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 170960592) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID170960592
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)nc1C(C)C
InChIInChI=1S/C14H16FN5O/c1-8(2)12-10(13(21)16-3)7-18-14(20-12)19-11-5-4-9(15)6-17-11/h4-8H,1-3H3,(H,16,21)(H,17,18,19,20)
InChIKeyASQZUTYVLKCWBX-UHFFFAOYSA-N
XLogP2.24
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide (CID 170960592) is 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)nc1C(C)C.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is ASQZUTYVLKCWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-8(2)12-10(13(21)16-3)7-18-14(20-12)19-11-5-4-9(15)6-17-11/h4-8H,1-3H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 170960592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).