6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

C20H36N6O — CID 143882686

IUPAC6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCCOCCN1CCN(c2cc(N)nc(NCC3CCC(C)CC3)n2)CC1
InChIInChI=1S/C20H36N6O/c1-3-27-13-12-25-8-10-26(11-9-25)19-14-18(21)23-20(24-19)22-15-17-6-4-16(2)5-7-17/h14,16-17H,3-13,15H2,1-2H3,(H3,21,22,23,24)
InChIKeyHJMDWNQBXFTOHY-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.46
Rot. Bonds8

About 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (PubChem CID 143882686) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
PubChem CID143882686
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC Name6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCCOCCN1CCN(c2cc(N)nc(NCC3CCC(C)CC3)n2)CC1
InChIInChI=1S/C20H36N6O/c1-3-27-13-12-25-8-10-26(11-9-25)19-14-18(21)23-20(24-19)22-15-17-6-4-16(2)5-7-17/h14,16-17H,3-13,15H2,1-2H3,(H3,21,22,23,24)
InChIKeyHJMDWNQBXFTOHY-UHFFFAOYSA-N
XLogP2.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (CID 143882686) is 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is CCOCCN1CCN(c2cc(N)nc(NCC3CCC(C)CC3)n2)CC1.
What is the InChIKey of 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HJMDWNQBXFTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-3-27-13-12-25-8-10-26(11-9-25)19-14-18(21)23-20(24-19)22-15-17-6-4-16(2)5-7-17/h14,16-17H,3-13,15H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 376.55 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 143882686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).