N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine

C14H16F2N4O — CID 103279512

IUPACN'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H16F2N4O/c1-20(9-7-17)14-18-8-6-11(19-14)10-4-2-3-5-12(10)21-13(15)16/h2-6,8,13H,7,9,17H2,1H3
InChIKeyRMCHKLMWMRRVOQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.14
Rot. Bonds6

About N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine

N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 103279512) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID103279512
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H16F2N4O/c1-20(9-7-17)14-18-8-6-11(19-14)10-4-2-3-5-12(10)21-13(15)16/h2-6,8,13H,7,9,17H2,1H3
InChIKeyRMCHKLMWMRRVOQ-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 103279512) is N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine is CN(CCN)c1nccc(-c2ccccc2OC(F)F)n1.
What is the InChIKey of N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is RMCHKLMWMRRVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-20(9-7-17)14-18-8-6-11(19-14)10-4-2-3-5-12(10)21-13(15)16/h2-6,8,13H,7,9,17H2,1H3.
What are the key properties of N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 294.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(difluoromethoxy)phenyl]pyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).