4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide

C16H17FN4O3 — CID 70683675

IUPAC4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1ccccc1F
InChIInChI=1S/C16H17FN4O3/c17-10-7-3-4-8-11(10)24-15-12(14(19)22)13(18)20-16(21-15)23-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,19,22)(H2,18,20,21)
InChIKeyGUSVNBGDJFACGI-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.41
Rot. Bonds5

About 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide

4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide (PubChem CID 70683675) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide
PubChem CID70683675
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1ccccc1F
InChIInChI=1S/C16H17FN4O3/c17-10-7-3-4-8-11(10)24-15-12(14(19)22)13(18)20-16(21-15)23-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,19,22)(H2,18,20,21)
InChIKeyGUSVNBGDJFACGI-UHFFFAOYSA-N
XLogP2.41
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide (CID 70683675) is 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide is NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1ccccc1F.
What is the InChIKey of 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide?
The InChIKey is GUSVNBGDJFACGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-10-7-3-4-8-11(10)24-15-12(14(19)22)13(18)20-16(21-15)23-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,19,22)(H2,18,20,21).
What are the key properties of 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide?
4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide is sourced from PubChem (CID 70683675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).