N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine

C18H26N4 — CID 158450885

IUPACN-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCNCCNc1cc(Cc2cccc(C)c2)nc(CC)n1
InChIInChI=1S/C18H26N4/c1-4-17-21-16(12-15-8-6-7-14(3)11-15)13-18(22-17)20-10-9-19-5-2/h6-8,11,13,19H,4-5,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyHDYTWVUROXQDIC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.96
Rot. Bonds8

About N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine

N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 158450885) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID158450885
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCNCCNc1cc(Cc2cccc(C)c2)nc(CC)n1
InChIInChI=1S/C18H26N4/c1-4-17-21-16(12-15-8-6-7-14(3)11-15)13-18(22-17)20-10-9-19-5-2/h6-8,11,13,19H,4-5,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyHDYTWVUROXQDIC-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine (CID 158450885) is N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine is CCNCCNc1cc(Cc2cccc(C)c2)nc(CC)n1.
What is the InChIKey of N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is HDYTWVUROXQDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-17-21-16(12-15-8-6-7-14(3)11-15)13-18(22-17)20-10-9-19-5-2/h6-8,11,13,19H,4-5,9-10,12H2,1-3H3,(H,20,21,22).
What are the key properties of N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine?
N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 158450885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).