N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide

C19H24FN5O — CID 11660432

IUPACN-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc(F)c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H24FN5O/c1-13(26)25(2)16-10-8-15(9-11-16)23-19-21-12-17(20)18(24-19)22-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyIACNHVRCYXOOGR-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.09
Rot. Bonds5

About N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide

N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide (PubChem CID 11660432) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
PubChem CID11660432
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc(F)c(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H24FN5O/c1-13(26)25(2)16-10-8-15(9-11-16)23-19-21-12-17(20)18(24-19)22-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyIACNHVRCYXOOGR-UHFFFAOYSA-N
XLogP4.09
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 123592396
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826
[1-[2-[4-[acetyl(methyl)amino]anilino]-5-fluoropyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68994446
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
N-[4-[[4-(cyclopropylamino)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-N-methylacetamide
CID 59591737
propan-2-yl N-[4-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]-N-methylcarbamate
CID 58014926
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
1-[4-(cyclopentylamino)-2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]-3-ethyl-1-methylurea
CID 143652668
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide (CID 11660432) is N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Nc2ncc(F)c(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The InChIKey is IACNHVRCYXOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13(26)25(2)16-10-8-15(9-11-16)23-19-21-12-17(20)18(24-19)22-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide has a molecular weight of 357.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 11660432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).