N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine

C19H27N5O2 — CID 112911371

IUPACN-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(N2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-15-14-18(20-8-13-25-2)22-19(21-15)24-11-9-23(10-12-24)16-6-4-5-7-17(16)26-3/h4-7,14H,8-13H2,1-3H3,(H,20,21,22)
InChIKeyNWUIOWOEJCBSMR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.18
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine

N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 112911371) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID112911371
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(N2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-15-14-18(20-8-13-25-2)22-19(21-15)24-11-9-23(10-12-24)16-6-4-5-7-17(16)26-3/h4-7,14H,8-13H2,1-3H3,(H,20,21,22)
InChIKeyNWUIOWOEJCBSMR-UHFFFAOYSA-N
XLogP2.18
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.18
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-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 112923684
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (CID 112911371) is N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is COCCNc1cc(C)nc(N2CCN(c3ccccc3OC)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is NWUIOWOEJCBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15-14-18(20-8-13-25-2)22-19(21-15)24-11-9-23(10-12-24)16-6-4-5-7-17(16)26-3/h4-7,14H,8-13H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).