N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H14F3N3O2 — CID 63225939

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCOc1ncnc(OC)c1CNCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-17-8-7(9(18-2)16-6-15-8)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyAJSSKXILBIYXJP-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.54
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63225939) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63225939
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCOc1ncnc(OC)c1CNCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-17-8-7(9(18-2)16-6-15-8)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyAJSSKXILBIYXJP-UHFFFAOYSA-N
XLogP1.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 63225939) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is COc1ncnc(OC)c1CNCCC(F)(F)F.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is AJSSKXILBIYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-17-8-7(9(18-2)16-6-15-8)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 265.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63225939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).