N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide

C16H21N7O2 — CID 91770094

IUPACN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1
InChIInChI=1S/C16H21N7O2/c24-13-1-4-22(8-13)15-7-14(17-10-18-15)11-5-12(6-11)21-16(25)9-23-19-2-3-20-23/h2-3,7,10-13,24H,1,4-6,8-9H2,(H,21,25)
InChIKeyUCPBIAYFWUPZKA-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.30
Rot. Bonds5

About N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide (PubChem CID 91770094) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide
PubChem CID91770094
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1
InChIInChI=1S/C16H21N7O2/c24-13-1-4-22(8-13)15-7-14(17-10-18-15)11-5-12(6-11)21-16(25)9-23-19-2-3-20-23/h2-3,7,10-13,24H,1,4-6,8-9H2,(H,21,25)
InChIKeyUCPBIAYFWUPZKA-UHFFFAOYSA-N
XLogP-0.30
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide?
The IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide (CID 91770094) is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide.
What is the SMILES notation for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide?
The canonical SMILES for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide is O=C(Cn1nccn1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1.
What is the InChIKey of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide?
The InChIKey is UCPBIAYFWUPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-13-1-4-22(8-13)15-7-14(17-10-18-15)11-5-12(6-11)21-16(25)9-23-19-2-3-20-23/h2-3,7,10-13,24H,1,4-6,8-9H2,(H,21,25).
What are the key properties of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide?
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide has a molecular weight of 343.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 91770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).