6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide

C16H17N3O2 — CID 141154574

IUPAC6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c17-15(20)13-10-14(21-12-8-4-5-9-12)19-16(18-13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,20)
InChIKeyHGXGJPBFUSXRTH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds4

About 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide

6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide (PubChem CID 141154574) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide
PubChem CID141154574
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c17-15(20)13-10-14(21-12-8-4-5-9-12)19-16(18-13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,20)
InChIKeyHGXGJPBFUSXRTH-UHFFFAOYSA-N
XLogP2.56
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide (CID 141154574) is 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(OC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HGXGJPBFUSXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-15(20)13-10-14(21-12-8-4-5-9-12)19-16(18-13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,20).
What are the key properties of 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide?
6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 141154574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).