6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

C16H21F2N5O2 — CID 19141696

IUPAC6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C16H21F2N5O2/c1-24-7-5-23(6-8-25-2)16-14(19)15(20-10-21-16)22-11-3-4-12(17)13(18)9-11/h3-4,9-10H,5-8,19H2,1-2H3,(H,20,21,22)
InChIKeyXERQUWSEHAMVAH-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.18
Rot. Bonds9

About 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (PubChem CID 19141696) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
PubChem CID19141696
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C16H21F2N5O2/c1-24-7-5-23(6-8-25-2)16-14(19)15(20-10-21-16)22-11-3-4-12(17)13(18)9-11/h3-4,9-10H,5-8,19H2,1-2H3,(H,20,21,22)
InChIKeyXERQUWSEHAMVAH-UHFFFAOYSA-N
XLogP2.18
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 19141681
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
6-N-(3-chloro-4-fluorophenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136830
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135778
6-N-(4-chlorophenyl)-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23493662
4-N,4-N-dibenzyl-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19136455
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
4-N-butyl-6-N-(3-chloro-4-fluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139861

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (CID 19141696) is 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is COCCN(CCOC)c1ncnc(Nc2ccc(F)c(F)c2)c1N.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The InChIKey is XERQUWSEHAMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-24-7-5-23(6-8-25-2)16-14(19)15(20-10-21-16)22-11-3-4-12(17)13(18)9-11/h3-4,9-10H,5-8,19H2,1-2H3,(H,20,21,22).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine has a molecular weight of 353.37 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19141696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).