2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C21H22FN5O — CID 131925543

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C21H22FN5O/c1-14(2)18-11-19(26-21(23)25-18)20(28)27(13-16-7-9-24-10-8-16)12-15-3-5-17(22)6-4-15/h3-11,14H,12-13H2,1-2H3,(H2,23,25,26)
InChIKeyCEBSGDQUEQGSFP-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.56
Rot. Bonds6

About 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 131925543) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID131925543
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C21H22FN5O/c1-14(2)18-11-19(26-21(23)25-18)20(28)27(13-16-7-9-24-10-8-16)12-15-3-5-17(22)6-4-15/h3-11,14H,12-13H2,1-2H3,(H2,23,25,26)
InChIKeyCEBSGDQUEQGSFP-UHFFFAOYSA-N
XLogP3.56
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
CID 77092872
N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
CID 52780863
1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125435876
4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
CID 59611643
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
CID 59611644
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 1460041
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
CID 26360827
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 131925543) is 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is CEBSGDQUEQGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14(2)18-11-19(26-21(23)25-18)20(28)27(13-16-7-9-24-10-8-16)12-15-3-5-17(22)6-4-15/h3-11,14H,12-13H2,1-2H3,(H2,23,25,26).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 131925543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).