4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C15H18F2N4 — CID 82803367

IUPAC4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C15H18F2N4/c1-4-5-10-14(18-3)19-8-20-15(10)21-13-11(16)7-6-9(2)12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyOOKFZNCHOWYDHX-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.80
Rot. Bonds5

About 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 82803367) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID82803367
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C15H18F2N4/c1-4-5-10-14(18-3)19-8-20-15(10)21-13-11(16)7-6-9(2)12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyOOKFZNCHOWYDHX-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80762442
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80759951
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 82803367) is 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Nc1c(F)ccc(C)c1F.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is OOKFZNCHOWYDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-4-5-10-14(18-3)19-8-20-15(10)21-13-11(16)7-6-9(2)12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82803367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).