2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 163594071

IUPAC2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NC2CC2)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H19N5O/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyGRXSAIQRQGDTON-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.66
Rot. Bonds4

About 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 163594071) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID163594071
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NC2CC2)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H19N5O/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyGRXSAIQRQGDTON-UHFFFAOYSA-N
XLogP1.66
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
6-[[4-(tert-butylamino)-6-(cyclopropylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
CID 27378976
2-[[4-methoxy-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58972439
[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
CID 42562484
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103704832
2-N-(1,1-dioxothian-4-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80789130
4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
CID 113249980
4-hydrazinyl-6-methoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80895205

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 163594071) is 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(NC2CC2)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GRXSAIQRQGDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163594071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).