4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C21H23FN4O — CID 112917284

IUPAC4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H23FN4O/c1-14(2)27-19-11-7-6-10-18(19)25-21-24-15(3)12-20(26-21)23-13-16-8-4-5-9-17(16)22/h4-12,14H,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyIZYULPFLKQRDSU-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.07
Rot. Bonds7

About 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112917284) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112917284
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H23FN4O/c1-14(2)27-19-11-7-6-10-18(19)25-21-24-15(3)12-20(26-21)23-13-16-8-4-5-9-17(16)22/h4-12,14H,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyIZYULPFLKQRDSU-UHFFFAOYSA-N
XLogP5.07
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
4-N-[(2-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917280
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922746
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112917284) is 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2F)nc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is IZYULPFLKQRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14(2)27-19-11-7-6-10-18(19)25-21-24-15(3)12-20(26-21)23-13-16-8-4-5-9-17(16)22/h4-12,14H,13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 366.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112917284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).