4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C21H30N6O — CID 112887479

IUPAC4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(NCCN4CCOCC4)n3)CC2)c1
InChIInChI=1S/C21H30N6O/c1-18-3-2-4-19(17-18)26-9-11-27(12-10-26)20-5-6-22-21(24-20)23-7-8-25-13-15-28-16-14-25/h2-6,17H,7-16H2,1H3,(H,22,23,24)
InChIKeyCJSDVEZCTUBLRJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.86
Rot. Bonds6

About 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 112887479) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID112887479
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(NCCN4CCOCC4)n3)CC2)c1
InChIInChI=1S/C21H30N6O/c1-18-3-2-4-19(17-18)26-9-11-27(12-10-26)20-5-6-22-21(24-20)23-7-8-25-13-15-28-16-14-25/h2-6,17H,7-16H2,1H3,(H,22,23,24)
InChIKeyCJSDVEZCTUBLRJ-UHFFFAOYSA-N
XLogP1.86
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945289
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890151
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-[[4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112898145
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 112887479) is 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Cc1cccc(N2CCN(c3ccnc(NCCN4CCOCC4)n3)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is CJSDVEZCTUBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-18-3-2-4-19(17-18)26-9-11-27(12-10-26)20-5-6-22-21(24-20)23-7-8-25-13-15-28-16-14-25/h2-6,17H,7-16H2,1H3,(H,22,23,24).
What are the key properties of 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 382.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112887479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).