4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

C20H21FN4 — CID 112877722

IUPAC4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C20H21FN4/c1-13(2)15-7-9-17(10-8-15)24-19-12-20(23-14(3)22-19)25-18-6-4-5-16(21)11-18/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyQMFURMQOCMLXEJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.53
Rot. Bonds5

About 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112877722) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112877722
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C20H21FN4/c1-13(2)15-7-9-17(10-8-15)24-19-12-20(23-14(3)22-19)25-18-6-4-5-16(21)11-18/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyQMFURMQOCMLXEJ-UHFFFAOYSA-N
XLogP5.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877709
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112877722) is 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccc(C(C)C)cc2)cc(Nc2cccc(F)c2)n1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is QMFURMQOCMLXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13(2)15-7-9-17(10-8-15)24-19-12-20(23-14(3)22-19)25-18-6-4-5-16(21)11-18/h4-13H,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 336.41 g/mol, XLogP of 5.53, 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-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).