5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine

C18H17FN4 — CID 71289636

IUPAC5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cccc(Nc2ncc(N(C)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C18H17FN4/c1-13-4-3-5-15(10-13)22-18-20-11-17(12-21-18)23(2)16-8-6-14(19)7-9-16/h3-12H,1-2H3,(H,20,21,22)
InChIKeyIWGNCONSHSZQTM-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.44
Rot. Bonds4

About 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine

5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine (PubChem CID 71289636) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine
PubChem CID71289636
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cccc(Nc2ncc(N(C)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C18H17FN4/c1-13-4-3-5-15(10-13)22-18-20-11-17(12-21-18)23(2)16-8-6-14(19)7-9-16/h3-12H,1-2H3,(H,20,21,22)
InChIKeyIWGNCONSHSZQTM-UHFFFAOYSA-N
XLogP4.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine (CID 71289636) is 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine is Cc1cccc(Nc2ncc(N(C)c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine?
The InChIKey is IWGNCONSHSZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-13-4-3-5-15(10-13)22-18-20-11-17(12-21-18)23(2)16-8-6-14(19)7-9-16/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine?
5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 71289636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).