2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol

C9H14F2N4O — CID 107542342

IUPAC2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccnc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-13-2-1-7(5-12)14-9/h1-2,8,16H,3-6,12H2
InChIKeySPWJVPAHWWOZBK-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.00
Rot. Bonds6

About 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol

2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107542342) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107542342
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccnc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-13-2-1-7(5-12)14-9/h1-2,8,16H,3-6,12H2
InChIKeySPWJVPAHWWOZBK-UHFFFAOYSA-N
XLogP-0.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
CID 107541913
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
CID 107493964
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109
2-[bis(2-hydroxyethyl)amino]pyrimidine-4-carbothioamide
CID 107546750
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495563

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107542342) is 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol is NCc1ccnc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is SPWJVPAHWWOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-13-2-1-7(5-12)14-9/h1-2,8,16H,3-6,12H2.
What are the key properties of 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 232.23 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107542342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).