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

C20H21FN4O — CID 112878564

IUPAC6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H21FN4O/c1-13(2)26-18-10-5-4-9-17(18)25-20-12-19(22-14(3)23-20)24-16-8-6-7-15(21)11-16/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyQKBGEQKYYHAWBN-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.20
Rot. Bonds6

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

6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112878564) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112878564
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H21FN4O/c1-13(2)26-18-10-5-4-9-17(18)25-20-12-19(22-14(3)23-20)24-16-8-6-7-15(21)11-16/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyQKBGEQKYYHAWBN-UHFFFAOYSA-N
XLogP5.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874066
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
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
4-N,2-dimethyl-4-N-phenyl-6-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112877176

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112878564) is 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is QKBGEQKYYHAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13(2)26-18-10-5-4-9-17(18)25-20-12-19(22-14(3)23-20)24-16-8-6-7-15(21)11-16/h4-13H,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 352.41 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).