N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide

C17H21FN4O — CID 109256911

IUPACN-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C17H21FN4O/c1-12(2)7-8-19-17-21-10-14(11-22-17)16(23)20-9-13-5-3-4-6-15(13)18/h3-6,10-12H,7-9H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyPFPBLDXZCQBXTP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.00
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide (PubChem CID 109256911) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
PubChem CID109256911
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C17H21FN4O/c1-12(2)7-8-19-17-21-10-14(11-22-17)16(23)20-9-13-5-3-4-6-15(13)18/h3-6,10-12H,7-9H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyPFPBLDXZCQBXTP-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109256962

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide (CID 109256911) is N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide is CC(C)CCNc1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The InChIKey is PFPBLDXZCQBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(2)7-8-19-17-21-10-14(11-22-17)16(23)20-9-13-5-3-4-6-15(13)18/h3-6,10-12H,7-9H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).