4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C12H21N5O2 — CID 80782030

IUPAC4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)nc(OC)n1
InChIInChI=1S/C12H21N5O2/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-6-5-7-19-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRZJWVCQAHJMAHS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.29
Rot. Bonds6

About 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80782030) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80782030
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C2CCCO2)nc(OC)n1
InChIInChI=1S/C12H21N5O2/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-6-5-7-19-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRZJWVCQAHJMAHS-UHFFFAOYSA-N
XLogP1.29
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-N-ethyl-6-methoxy-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82737154
2-N,4-N-diethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799363
2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80782031
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
CID 164651622
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
2-N-(1-cyclohexylethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827053

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80782030) is 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C2CCCO2)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RZJWVCQAHJMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-13-10-15-11(17-12(16-10)18-3)14-8(2)9-6-5-7-19-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).