N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C18H23N7O2 — CID 109300925

IUPACN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H23N7O2/c26-16(22-13-14-3-1-12-27-14)15-4-7-21-18(23-15)25-10-8-24(9-11-25)17-19-5-2-6-20-17/h2,4-7,14H,1,3,8-13H2,(H,22,26)
InChIKeyAHJHTEOKHRTOPJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.50
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109300925) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109300925
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H23N7O2/c26-16(22-13-14-3-1-12-27-14)15-4-7-21-18(23-15)25-10-8-24(9-11-25)17-19-5-2-6-20-17/h2,4-7,14H,1,3,8-13H2,(H,22,26)
InChIKeyAHJHTEOKHRTOPJ-UHFFFAOYSA-N
XLogP0.50
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300922
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109300925) is N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1ccnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is AHJHTEOKHRTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-16(22-13-14-3-1-12-27-14)15-4-7-21-18(23-15)25-10-8-24(9-11-25)17-19-5-2-6-20-17/h2,4-7,14H,1,3,8-13H2,(H,22,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).