N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine

C22H24N4O — CID 112884582

IUPACN-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESc1ccc(COc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C22H24N4O/c1-3-7-18(8-4-1)17-27-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-17H2,(H,23,24,25)
InChIKeyVSMIZPLORQHLCT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.79
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine

N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884582) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884582
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESc1ccc(COc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C22H24N4O/c1-3-7-18(8-4-1)17-27-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-17H2,(H,23,24,25)
InChIKeyVSMIZPLORQHLCT-UHFFFAOYSA-N
XLogP4.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 142745751
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
4-N,4-N-diethyl-1-N-(4-piperidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112884574
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
1-[4-[2-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888936

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884582) is N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine is c1ccc(COc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is VSMIZPLORQHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-7-18(8-4-1)17-27-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-17H2,(H,23,24,25).
What are the key properties of N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).