2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H21N11O — CID 175422800

IUPAC2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N)n1.Nc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C6H10N6.C6H11N5O/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H2,(H5,7,8,9,10,11,12);3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyOPQFLLFFWLAYJR-UHFFFAOYSA-N
MW335.38 g/mol
LogP-0.57
Rot. Bonds4

About 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 175422800) has the molecular formula C12H21N11O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID175422800
Molecular FormulaC12H21N11O
Molecular Weight335.38 g/mol
Exact Mass335.19
IUPAC Name2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N)n1.Nc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C6H10N6.C6H11N5O/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H2,(H5,7,8,9,10,11,12);3H,1-2H3,(H4,7,8,9,10,11)
InChIKeyOPQFLLFFWLAYJR-UHFFFAOYSA-N
XLogP-0.57
TPSA202.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861761
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551
2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838419
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80798570

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 175422800) is 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(N)n1.Nc1nc(N)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is OPQFLLFFWLAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6.C6H11N5O/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H2,(H5,7,8,9,10,11,12);3H,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 335.38 g/mol, XLogP of -0.57, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).