3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol

C14H25N5O2 — CID 114632999

IUPAC3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCNc1nc(NC2CC(O)C2(C)C)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-6-15-11-17-12(19-13(18-11)21-8(2)3)16-9-7-10(20)14(9,4)5/h8-10,20H,6-7H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyLSTHXBTWHXKUIJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.66
Rot. Bonds6

About 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114632999) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114632999
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCNc1nc(NC2CC(O)C2(C)C)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-6-15-11-17-12(19-13(18-11)21-8(2)3)16-9-7-10(20)14(9,4)5/h8-10,20H,6-7H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyLSTHXBTWHXKUIJ-UHFFFAOYSA-N
XLogP1.66
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633042
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80772422
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
N-ethyl-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80844565
4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296179

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 114632999) is 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol is CCNc1nc(NC2CC(O)C2(C)C)nc(OC(C)C)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is LSTHXBTWHXKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-6-15-11-17-12(19-13(18-11)21-8(2)3)16-9-7-10(20)14(9,4)5/h8-10,20H,6-7H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114632999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).