N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine

C22H22N6O — CID 95800111

IUPACN-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C22H22N6O/c1-28(17-7-3-2-4-8-17)13-6-10-25-22-26-15-18(19-16-23-11-12-24-19)21(27-22)20-9-5-14-29-20/h2-5,7-9,11-12,14-16H,6,10,13H2,1H3,(H,25,26,27)
InChIKeyCKLDUFZVCKNMFA-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.13
Rot. Bonds8

About N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine

N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 95800111) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID95800111
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C22H22N6O/c1-28(17-7-3-2-4-8-17)13-6-10-25-22-26-15-18(19-16-23-11-12-24-19)21(27-22)20-9-5-14-29-20/h2-5,7-9,11-12,14-16H,6,10,13H2,1H3,(H,25,26,27)
InChIKeyCKLDUFZVCKNMFA-UHFFFAOYSA-N
XLogP4.13
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine 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-cyclopentyl-4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46960466
N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276224
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 155982497
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 95801245
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-4-(1-methylimidazol-2-yl)azepan-4-ol
CID 110220025
N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800143

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine (CID 95800111) is N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine is CN(CCCNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is CKLDUFZVCKNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-28(17-7-3-2-4-8-17)13-6-10-25-22-26-15-18(19-16-23-11-12-24-19)21(27-22)20-9-5-14-29-20/h2-5,7-9,11-12,14-16H,6,10,13H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine?
N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 386.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 95800111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).