4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine

C21H25N5O — CID 112936430

IUPAC4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(NCc3ccco3)n2)CC1
InChIInChI=1S/C21H25N5O/c1-2-25-10-12-26(13-11-25)20-15-19(17-7-4-3-5-8-17)23-21(24-20)22-16-18-9-6-14-27-18/h3-9,14-15H,2,10-13,16H2,1H3,(H,22,23,24)
InChIKeyQBPROHYJKYUCJN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.49
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine

4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine (PubChem CID 112936430) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
PubChem CID112936430
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(NCc3ccco3)n2)CC1
InChIInChI=1S/C21H25N5O/c1-2-25-10-12-26(13-11-25)20-15-19(17-7-4-3-5-8-17)23-21(24-20)22-16-18-9-6-14-27-18/h3-9,14-15H,2,10-13,16H2,1H3,(H,22,23,24)
InChIKeyQBPROHYJKYUCJN-UHFFFAOYSA-N
XLogP3.49
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112936856
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine (CID 112936430) is 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine is CCN1CCN(c2cc(-c3ccccc3)nc(NCc3ccco3)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine?
The InChIKey is QBPROHYJKYUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-25-10-12-26(13-11-25)20-15-19(17-7-4-3-5-8-17)23-21(24-20)22-16-18-9-6-14-27-18/h3-9,14-15H,2,10-13,16H2,1H3,(H,22,23,24).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine?
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine has a molecular weight of 363.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).