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

C14H17FN4 — CID 80794453

IUPAC4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2F)nc(C)n1
InChIInChI=1S/C14H17FN4/c1-10-17-13(16-2)8-14(18-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyPUOFLZVDAIUDLC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.60
Rot. Bonds4

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

4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 80794453) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID80794453
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2F)nc(C)n1
InChIInChI=1S/C14H17FN4/c1-10-17-13(16-2)8-14(18-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyPUOFLZVDAIUDLC-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80818514
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
4-N,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 171704417
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80899484
3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756516
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (CID 80794453) is 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccccc2F)nc(C)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is PUOFLZVDAIUDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-17-13(16-2)8-14(18-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).