4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C14H16ClFN4 — CID 80832814

IUPAC4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C14H16ClFN4/c1-8-13(17-3)19-9(2)20-14(8)18-7-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyWHSGNOSRWRDRCZ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.54
Rot. Bonds4

About 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80832814) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80832814
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C14H16ClFN4/c1-8-13(17-3)19-9(2)20-14(8)18-7-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyWHSGNOSRWRDRCZ-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80806415
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
CID 177249429
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80832814) is 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is WHSGNOSRWRDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-8-13(17-3)19-9(2)20-14(8)18-7-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 294.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80832814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).