6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C19H26FN5O — CID 112870386

IUPAC6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H26FN5O/c1-15-23-18(21-7-6-16-4-2-3-5-17(16)20)14-19(24-15)22-8-9-25-10-12-26-13-11-25/h2-5,14H,6-13H2,1H3,(H2,21,22,23,24)
InChIKeyXVEVKCAEXJUIDW-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.32
Rot. Bonds8

About 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112870386) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112870386
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H26FN5O/c1-15-23-18(21-7-6-16-4-2-3-5-17(16)20)14-19(24-15)22-8-9-25-10-12-26-13-11-25/h2-5,14H,6-13H2,1H3,(H2,21,22,23,24)
InChIKeyXVEVKCAEXJUIDW-UHFFFAOYSA-N
XLogP2.32
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945086
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
N-[2-(2-fluorophenyl)ethyl]-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207606
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
CID 142845392
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 112870386) is 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Cc1nc(NCCc2ccccc2F)cc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is XVEVKCAEXJUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-15-23-18(21-7-6-16-4-2-3-5-17(16)20)14-19(24-15)22-8-9-25-10-12-26-13-11-25/h2-5,14H,6-13H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 359.45 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112870386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).