N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

C18H24N4O2 — CID 172891896

IUPACN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(CN2CCCC(Nc3ncccn3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-23-16-6-7-17(24-2)14(11-16)12-22-10-3-5-15(13-22)21-18-19-8-4-9-20-18/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyRJKOWQJJPMZKSV-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.57
Rot. Bonds6

About N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 172891896) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID172891896
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(CN2CCCC(Nc3ncccn3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-23-16-6-7-17(24-2)14(11-16)12-22-10-3-5-15(13-22)21-18-19-8-4-9-20-18/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyRJKOWQJJPMZKSV-UHFFFAOYSA-N
XLogP2.57
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
CID 45174653
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
5-methoxy-2-[[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methyl]pyran-4-one
CID 172892753
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126769119
5-chloro-2-methoxy-4-[[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methyl]phenol
CID 29180657
2-[3-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92594575

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 172891896) is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is COc1ccc(OC)c(CN2CCCC(Nc3ncccn3)C2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is RJKOWQJJPMZKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-6-7-17(24-2)14(11-16)12-22-10-3-5-15(13-22)21-18-19-8-4-9-20-18/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 172891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).