4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C15H20FN5 — CID 112912860

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C15H20FN5/c1-11-10-14(17-8-9-21(2)3)20-15(18-11)19-13-7-5-4-6-12(13)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyADCINWNQRPXSPG-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.64
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112912860) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112912860
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C15H20FN5/c1-11-10-14(17-8-9-21(2)3)20-15(18-11)19-13-7-5-4-6-12(13)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyADCINWNQRPXSPG-UHFFFAOYSA-N
XLogP2.64
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912858
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926472
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912886
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112912860) is 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCN(C)C)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ADCINWNQRPXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-11-10-14(17-8-9-21(2)3)20-15(18-11)19-13-7-5-4-6-12(13)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 289.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112912860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).