4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H19FN4 — CID 80958179

IUPAC4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H19FN4/c1-10(2)15-18-13(17-3)9-14(19-15)20(4)12-7-5-11(16)6-8-12/h5-10H,1-4H3,(H,17,18,19)
InChIKeyPIBCMHNEUPRVHJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.55
Rot. Bonds4

About 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80958179) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80958179
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H19FN4/c1-10(2)15-18-13(17-3)9-14(19-15)20(4)12-7-5-11(16)6-8-12/h5-10H,1-4H3,(H,17,18,19)
InChIKeyPIBCMHNEUPRVHJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 80955643
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
4-N-(4-fluorophenyl)-4-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983260
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80958179) is 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(C)c2ccc(F)cc2)nc(C(C)C)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PIBCMHNEUPRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10(2)15-18-13(17-3)9-14(19-15)20(4)12-7-5-11(16)6-8-12/h5-10H,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).