N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C21H32N6O — CID 112913469

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(NCCCN(C)C)n2)CC1
InChIInChI=1S/C21H32N6O/c1-17-16-20(22-10-7-11-25(2)3)24-21(23-17)27-14-12-26(13-15-27)18-8-5-6-9-19(18)28-4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,22,23,24)
InChIKeyNRRFJPPJICZEJU-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.48
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112913469) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID112913469
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(NCCCN(C)C)n2)CC1
InChIInChI=1S/C21H32N6O/c1-17-16-20(22-10-7-11-25(2)3)24-21(23-17)27-14-12-26(13-15-27)18-8-5-6-9-19(18)28-4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,22,23,24)
InChIKeyNRRFJPPJICZEJU-UHFFFAOYSA-N
XLogP2.48
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N',N'-dimethyl-N-[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 112912809
[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109344728
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109253522
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 112913469) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is COc1ccccc1N1CCN(c2nc(C)cc(NCCCN(C)C)n2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is NRRFJPPJICZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-17-16-20(22-10-7-11-25(2)3)24-21(23-17)27-14-12-26(13-15-27)18-8-5-6-9-19(18)28-4/h5-6,8-9,16H,7,10-15H2,1-4H3,(H,22,23,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 384.53 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112913469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).