2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 107403046

IUPAC2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCC)nc(N(CC)CC2CCC2)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-17-14(19-15(18-13)21-6-3)20(5-2)11-12-8-7-9-12/h12H,4-11H2,1-3H3,(H,16,17,18,19)
InChIKeyNDNLSODVRREJNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.72
Rot. Bonds9

About 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 107403046) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID107403046
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCC)nc(N(CC)CC2CCC2)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-17-14(19-15(18-13)21-6-3)20(5-2)11-12-8-7-9-12/h12H,4-11H2,1-3H3,(H,16,17,18,19)
InChIKeyNDNLSODVRREJNT-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-cyclopropyl-6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774888
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 107403046) is 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OCC)nc(N(CC)CC2CCC2)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NDNLSODVRREJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-10-16-13-17-14(19-15(18-13)21-6-3)20(5-2)11-12-8-7-9-12/h12H,4-11H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107403046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).