6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine

C21H30N6 — CID 112870948

IUPAC6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(N4CCCC4)cc3)nc(C)n2)CC1
InChIInChI=1S/C21H30N6/c1-3-25-12-14-27(15-13-25)21-16-20(22-17(2)23-21)24-18-6-8-19(9-7-18)26-10-4-5-11-26/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,23,24)
InChIKeyAHFGFNUVQIFQKK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.27
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine (PubChem CID 112870948) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
PubChem CID112870948
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(N4CCCC4)cc3)nc(C)n2)CC1
InChIInChI=1S/C21H30N6/c1-3-25-12-14-27(15-13-25)21-16-20(22-17(2)23-21)24-18-6-8-19(9-7-18)26-10-4-5-11-26/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,23,24)
InChIKeyAHFGFNUVQIFQKK-UHFFFAOYSA-N
XLogP3.27
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112870952
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 91527858

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine (CID 112870948) is 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine is CCN1CCN(c2cc(Nc3ccc(N4CCCC4)cc3)nc(C)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The InChIKey is AHFGFNUVQIFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-3-25-12-14-27(15-13-25)21-16-20(22-17(2)23-21)24-18-6-8-19(9-7-18)26-10-4-5-11-26/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine has a molecular weight of 366.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112870948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).