N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

C20H25N5O2 — CID 109252363

IUPACN-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N5O2/c26-19(21-15-18-7-4-12-27-18)16-13-22-20(23-14-16)25-10-8-24(9-11-25)17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,26)
InChIKeyRZNZOHCDZCLSJX-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.71
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109252363) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109252363
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N5O2/c26-19(21-15-18-7-4-12-27-18)16-13-22-20(23-14-16)25-10-8-24(9-11-25)17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,26)
InChIKeyRZNZOHCDZCLSJX-UHFFFAOYSA-N
XLogP1.71
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
N-[[(2S)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812050

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109252363) is N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RZNZOHCDZCLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(21-15-18-7-4-12-27-18)16-13-22-20(23-14-16)25-10-8-24(9-11-25)17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).