N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide

C21H21FN4O2 — CID 109256962

IUPACN-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O2/c1-14(2)28-19-10-6-5-9-18(19)26-21-24-12-16(13-25-21)20(27)23-11-15-7-3-4-8-17(15)22/h3-10,12-14H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyPZQFKLPIMOUHSM-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.08
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide (PubChem CID 109256962) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
PubChem CID109256962
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O2/c1-14(2)28-19-10-6-5-9-18(19)26-21-24-12-16(13-25-21)20(27)23-11-15-7-3-4-8-17(15)22/h3-10,12-14H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyPZQFKLPIMOUHSM-UHFFFAOYSA-N
XLogP4.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
N-[(2-fluorophenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256940
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257339
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide (CID 109256962) is N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide is CC(C)Oc1ccccc1Nc1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The InChIKey is PZQFKLPIMOUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(2)28-19-10-6-5-9-18(19)26-21-24-12-16(13-25-21)20(27)23-11-15-7-3-4-8-17(15)22/h3-10,12-14H,11H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).