4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

C19H19FN4 — CID 112871761

IUPAC4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2C)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4/c1-13-6-3-4-7-15(13)12-21-18-11-19(23-14(2)22-18)24-17-9-5-8-16(20)10-17/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyGJUKVLCFFDLTFT-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112871761) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112871761
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2C)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4/c1-13-6-3-4-7-15(13)12-21-18-11-19(23-14(2)22-18)24-17-9-5-8-16(20)10-17/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyGJUKVLCFFDLTFT-UHFFFAOYSA-N
XLogP4.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
methyl 3-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871753
4-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112871775
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112873104
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112872618
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112871761) is 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1nc(NCc2ccccc2C)cc(Nc2cccc(F)c2)n1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is GJUKVLCFFDLTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13-6-3-4-7-15(13)12-21-18-11-19(23-14(2)22-18)24-17-9-5-8-16(20)10-17/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).