N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C14H21N5O2 — CID 51084923

IUPACN-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20)
InChIKeyDZMXKQJOOSICLJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.34
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 51084923) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID51084923
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20)
InChIKeyDZMXKQJOOSICLJ-UHFFFAOYSA-N
XLogP0.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 51084923) is N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NCC1CCOC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DZMXKQJOOSICLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20).
What are the key properties of N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51084923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).