2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

C22H32N6 — CID 112900963

IUPAC2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C22H32N6/c1-3-19-6-4-5-13-28(19)22-23-12-11-21(25-22)24-18-7-9-20(10-8-18)27-16-14-26(2)15-17-27/h7-12,19H,3-6,13-17H2,1-2H3,(H,23,24,25)
InChIKeyKYTOIOCNRDQWLJ-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.74
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (PubChem CID 112900963) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
PubChem CID112900963
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C22H32N6/c1-3-19-6-4-5-13-28(19)22-23-12-11-21(25-22)24-18-7-9-20(10-8-18)27-16-14-26(2)15-17-27/h7-12,19H,3-6,13-17H2,1-2H3,(H,23,24,25)
InChIKeyKYTOIOCNRDQWLJ-UHFFFAOYSA-N
XLogP3.74
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.74
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

N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
4-(2-ethylpiperidin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carbaldehyde
CID 166686063

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (CID 112900963) is 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is CCC1CCCCN1c1nccc(Nc2ccc(N3CCN(C)CC3)cc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The InChIKey is KYTOIOCNRDQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-3-19-6-4-5-13-28(19)22-23-12-11-21(25-22)24-18-7-9-20(10-8-18)27-16-14-26(2)15-17-27/h7-12,19H,3-6,13-17H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine has a molecular weight of 380.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).