N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C10H11F3N4O — CID 155175283

IUPACN-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCONc1ncnc2c1ccn2C(C)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c1-6(10(11,12)13)17-4-3-7-8(16-18-2)14-5-15-9(7)17/h3-6H,1-2H3,(H,14,15,16)
InChIKeyYAPXRWILAVTGCF-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.53
Rot. Bonds3

About N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155175283) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155175283
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC NameN-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCONc1ncnc2c1ccn2C(C)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c1-6(10(11,12)13)17-4-3-7-8(16-18-2)14-5-15-9(7)17/h3-6H,1-2H3,(H,14,15,16)
InChIKeyYAPXRWILAVTGCF-UHFFFAOYSA-N
XLogP2.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 155175283) is N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CONc1ncnc2c1ccn2C(C)C(F)(F)F.
What is the InChIKey of N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YAPXRWILAVTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-6(10(11,12)13)17-4-3-7-8(16-18-2)14-5-15-9(7)17/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155175283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).