N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine

C9H14F2N4O — CID 107493964

IUPACN'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1ccnc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c1-16-8-2-4-13-9(14-8)15(5-3-12)6-7(10)11/h2,4,7H,3,5-6,12H2,1H3
InChIKeyLBWZVIQBWINGAD-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.52
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 107493964) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID107493964
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC NameN'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1ccnc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c1-16-8-2-4-13-9(14-8)15(5-3-12)6-7(10)11/h2,4,7H,3,5-6,12H2,1H3
InChIKeyLBWZVIQBWINGAD-UHFFFAOYSA-N
XLogP0.52
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
CID 107494035
N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 107493991
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 107494092
N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 107494368
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
2-[2,2-difluoroethyl-(6-methoxy-2-pyridinyl)amino]ethanol
CID 107484208

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine (CID 107493964) is N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine is COc1ccnc(N(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is LBWZVIQBWINGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-16-8-2-4-13-9(14-8)15(5-3-12)6-7(10)11/h2,4,7H,3,5-6,12H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 232.23 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107493964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).