N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C20H28N4O2 — CID 133324617

IUPACN-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1OC(C)CNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-15-7-6-10-24(13-15)20-11-19(22-14-23-20)21-12-16(2)26-18-9-5-4-8-17(18)25-3/h4-5,8-9,11,14-16H,6-7,10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyQTSUNCOOPPDCJJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133324617) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133324617
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1OC(C)CNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-15-7-6-10-24(13-15)20-11-19(22-14-23-20)21-12-16(2)26-18-9-5-4-8-17(18)25-3/h4-5,8-9,11,14-16H,6-7,10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyQTSUNCOOPPDCJJ-UHFFFAOYSA-N
XLogP3.60
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863075
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133309531
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133324617) is N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COc1ccccc1OC(C)CNc1cc(N2CCCC(C)C2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QTSUNCOOPPDCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-7-6-10-24(13-15)20-11-19(22-14-23-20)21-12-16(2)26-18-9-5-4-8-17(18)25-3/h4-5,8-9,11,14-16H,6-7,10,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).