2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C12H19N5O — CID 80845232

IUPAC2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-18-12-15-10(13)14-11(16-12)17(9-5-6-9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyMFANQVMTYPPUHN-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.23
Rot. Bonds6

About 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80845232) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80845232
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-18-12-15-10(13)14-11(16-12)17(9-5-6-9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyMFANQVMTYPPUHN-UHFFFAOYSA-N
XLogP1.23
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
N-cyclopropyl-N-(cyclopropylmethyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80918086
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclohexylamino]ethanol
CID 80811347
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102875532
2-N-cyclopropyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775722
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834687
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329
2-N-(4-ethylcyclohexyl)-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809819
2-N-(2,3-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80777218

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80845232) is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MFANQVMTYPPUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-18-12-15-10(13)14-11(16-12)17(9-5-6-9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 249.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80845232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).