N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine

C14H17FN4 — CID 103279381

IUPACN'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCc1cnc(N(C)CCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4/c1-10-9-17-14(19(2)8-7-16)18-13(10)11-3-5-12(15)6-4-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKPVKGXYUITVEOE-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.99
Rot. Bonds4

About N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine

N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 103279381) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID103279381
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCc1cnc(N(C)CCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4/c1-10-9-17-14(19(2)8-7-16)18-13(10)11-3-5-12(15)6-4-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKPVKGXYUITVEOE-UHFFFAOYSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 103279381) is N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine is Cc1cnc(N(C)CCN)nc1-c1ccc(F)cc1.
What is the InChIKey of N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is KPVKGXYUITVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-9-17-14(19(2)8-7-16)18-13(10)11-3-5-12(15)6-4-11/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 260.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).