N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine

C13H14F2N4O — CID 75436410

IUPACN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2cccnc2OCC(F)F)n1
InChIInChI=1S/C13H14F2N4O/c1-9-4-6-17-13(19-9)18-7-10-3-2-5-16-12(10)20-8-11(14)15/h2-6,11H,7-8H2,1H3,(H,17,18,19)
InChIKeyVCPFFUOMUFYGLK-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.44
Rot. Bonds6

About N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine

N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 75436410) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
PubChem CID75436410
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2cccnc2OCC(F)F)n1
InChIInChI=1S/C13H14F2N4O/c1-9-4-6-17-13(19-9)18-7-10-3-2-5-16-12(10)20-8-11(14)15/h2-6,11H,7-8H2,1H3,(H,17,18,19)
InChIKeyVCPFFUOMUFYGLK-UHFFFAOYSA-N
XLogP2.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine
CID 164637429
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
CID 120705557
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 82681088
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
CID 133474574
4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56744605
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
1-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100690740
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
CID 107552003

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine (CID 75436410) is N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCc2cccnc2OCC(F)F)n1.
What is the InChIKey of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is VCPFFUOMUFYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-9-4-6-17-13(19-9)18-7-10-3-2-5-16-12(10)20-8-11(14)15/h2-6,11H,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine?
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 280.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 75436410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).