2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

C14H26N4O — CID 80657016

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(CC)CCOCC)n1
InChIInChI=1S/C14H26N4O/c1-5-15-13-10-12(4)16-14(17-13)11-18(6-2)8-9-19-7-3/h10H,5-9,11H2,1-4H3,(H,15,16,17)
InChIKeyYYVMPTDSVWIPSH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.08
Rot. Bonds9

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80657016) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80657016
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(CC)CCOCC)n1
InChIInChI=1S/C14H26N4O/c1-5-15-13-10-12(4)16-14(17-13)11-18(6-2)8-9-19-7-3/h10H,5-9,11H2,1-4H3,(H,15,16,17)
InChIKeyYYVMPTDSVWIPSH-UHFFFAOYSA-N
XLogP2.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
CID 80657126
N-ethyl-2-(heptoxymethyl)-6-methylpyrimidin-4-amine
CID 80654218
2-ethoxy-N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 63690883
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80657016) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN(CC)CCOCC)n1.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is YYVMPTDSVWIPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-15-13-10-12(4)16-14(17-13)11-18(6-2)8-9-19-7-3/h10H,5-9,11H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).