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

C12H19N7O — CID 80848735

IUPAC2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCNc1nc(NC(CO)C(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)9(6-20)15-11-16-10(13-3)17-12(18-11)19-5-4-14-7-19/h4-5,7-9,20H,6H2,1-3H3,(H2,13,15,16,17,18)
InChIKeyYFIXIHKZBGUUCI-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.53
Rot. Bonds6

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

2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 80848735) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID80848735
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCNc1nc(NC(CO)C(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)9(6-20)15-11-16-10(13-3)17-12(18-11)19-5-4-14-7-19/h4-5,7-9,20H,6H2,1-3H3,(H2,13,15,16,17,18)
InChIKeyYFIXIHKZBGUUCI-UHFFFAOYSA-N
XLogP0.53
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827415
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789035
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106347620

Frequently Asked Questions

What is the IUPAC name of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (CID 80848735) is 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is CNc1nc(NC(CO)C(C)C)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is YFIXIHKZBGUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-8(2)9(6-20)15-11-16-10(13-3)17-12(18-11)19-5-4-14-7-19/h4-5,7-9,20H,6H2,1-3H3,(H2,13,15,16,17,18).
What are the key properties of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 277.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80848735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).