6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine

C20H27N5O — CID 112880607

IUPAC6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-24-9-11-25(12-10-24)19-14-18(21-15-17-8-5-13-26-17)22-20(23-19)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,21,22,23)
InChIKeyJMTOAQMUEUENLL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.49
Rot. Bonds5

About 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine (PubChem CID 112880607) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
PubChem CID112880607
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-24-9-11-25(12-10-24)19-14-18(21-15-17-8-5-13-26-17)22-20(23-19)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,21,22,23)
InChIKeyJMTOAQMUEUENLL-UHFFFAOYSA-N
XLogP2.49
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880609
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880634
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
CID 112880661
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine (CID 112880607) is 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine is CN1CCN(c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The InChIKey is JMTOAQMUEUENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24-9-11-25(12-10-24)19-14-18(21-15-17-8-5-13-26-17)22-20(23-19)16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,21,22,23).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).