N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

C19H26N4O2 — CID 133297281

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2cc(N3CCCCC3)ncn2)cc1OC
InChIInChI=1S/C19H26N4O2/c1-14(15-7-8-16(24-2)17(11-15)25-3)22-18-12-19(21-13-20-18)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,21,22)
InChIKeySFFQFFORBDLIKM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.66
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133297281) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133297281
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2cc(N3CCCCC3)ncn2)cc1OC
InChIInChI=1S/C19H26N4O2/c1-14(15-7-8-16(24-2)17(11-15)25-3)22-18-12-19(21-13-20-18)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,21,22)
InChIKeySFFQFFORBDLIKM-UHFFFAOYSA-N
XLogP3.66
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133331042
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133477612
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133297281) is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is COc1ccc(C(C)Nc2cc(N3CCCCC3)ncn2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is SFFQFFORBDLIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(15-7-8-16(24-2)17(11-15)25-3)22-18-12-19(21-13-20-18)23-9-5-4-6-10-23/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 342.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).