5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine

C19H24N6O — CID 50956467

IUPAC5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C19H24N6O/c1-3-15-12-20-14(2)22-19(15)25-10-8-24(9-11-25)13-16-4-5-18(26-16)17-6-7-21-23-17/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,23)
InChIKeyNAIXSCSPIWDPJC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.65
Rot. Bonds5

About 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine

5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 50956467) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
PubChem CID50956467
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C19H24N6O/c1-3-15-12-20-14(2)22-19(15)25-10-8-24(9-11-25)13-16-4-5-18(26-16)17-6-7-21-23-17/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,23)
InChIKeyNAIXSCSPIWDPJC-UHFFFAOYSA-N
XLogP2.65
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768403
Pyrimidine-4-carboxamide, 28
CID 44520987
Pyrimidine-4-carboxamide, 103
CID 11290634
Pyrimidine-4-carboxamide, 102
CID 11404060
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
2-Methyl-6-(5-methyl-furan-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10040233
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9976396
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine (CID 50956467) is 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine is CCc1cnc(C)nc1N1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1.
What is the InChIKey of 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is NAIXSCSPIWDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-15-12-20-14(2)22-19(15)25-10-8-24(9-11-25)13-16-4-5-18(26-16)17-6-7-21-23-17/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50956467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).