2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol

C12H22N6O2 — CID 80780756

IUPAC2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-3-9(8-19)14-11-15-10(13-2)16-12(17-11)18-4-6-20-7-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQUCWUCKPFSVGED-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.07
Rot. Bonds6

About 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol

2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 80780756) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID80780756
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-3-9(8-19)14-11-15-10(13-2)16-12(17-11)18-4-6-20-7-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQUCWUCKPFSVGED-UHFFFAOYSA-N
XLogP-0.07
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-morpholin-4-yl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80750303
2-methyl-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80824824
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80792732
2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80818552

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 80780756) is 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol is CCC(CO)Nc1nc(NC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is QUCWUCKPFSVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-9(8-19)14-11-15-10(13-2)16-12(17-11)18-4-6-20-7-5-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol?
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 282.35 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 80780756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).