N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine

C21H24N4O — CID 112936752

IUPACN-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCC1CCCN(c2nc(NCc3ccco3)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H24N4O/c1-16-7-5-11-25(15-16)21-23-19(17-8-3-2-4-9-17)13-20(24-21)22-14-18-10-6-12-26-18/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3,(H,22,23,24)
InChIKeyGHGZMMVKFIWDTH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.59
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine

N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936752) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936752
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCC1CCCN(c2nc(NCc3ccco3)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H24N4O/c1-16-7-5-11-25(15-16)21-23-19(17-8-3-2-4-9-17)13-20(24-21)22-14-18-10-6-12-26-18/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3,(H,22,23,24)
InChIKeyGHGZMMVKFIWDTH-UHFFFAOYSA-N
XLogP4.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112933585
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936752) is N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine is CC1CCCN(c2nc(NCc3ccco3)cc(-c3ccccc3)n2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is GHGZMMVKFIWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-7-5-11-25(15-16)21-23-19(17-8-3-2-4-9-17)13-20(24-21)22-14-18-10-6-12-26-18/h2-4,6,8-10,12-13,16H,5,7,11,14-15H2,1H3,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).