4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine

C17H23N5O2 — CID 72871640

IUPAC4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(c3ccccc3OC)CC2C)nc(N)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-21(13-6-4-5-7-14(13)23-2)8-9-22(12)15-10-16(24-3)20-17(18)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20)
InChIKeyUKXXBDRFFXOBEN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.79
Rot. Bonds4

About 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine

4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 72871640) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID72871640
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(c3ccccc3OC)CC2C)nc(N)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-21(13-6-4-5-7-14(13)23-2)8-9-22(12)15-10-16(24-3)20-17(18)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20)
InChIKeyUKXXBDRFFXOBEN-UHFFFAOYSA-N
XLogP1.79
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
CID 154929747
4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282747
4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282748
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
2-(1,3-dioxolan-2-yl)-4-(2-methoxyphenyl)morpholine
CID 86635014
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
8-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555302
[4-(2-amino-6-methoxypyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 114053206
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine (CID 72871640) is 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine is COc1cc(N2CCN(c3ccccc3OC)CC2C)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is UKXXBDRFFXOBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-21(13-6-4-5-7-14(13)23-2)8-9-22(12)15-10-16(24-3)20-17(18)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 329.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72871640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).