4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80789035

IUPAC4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C(C)C(C)(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-10(14(2,3)4)20(6)12-17-11(15-5)18-13(19-12)21-8-7-16-9-21/h7-10H,1-6H3,(H,15,17,18,19)
InChIKeyRWZHSHAYDITLSK-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.97
Rot. Bonds4

About 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80789035) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80789035
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C(C)C(C)(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-10(14(2,3)4)20(6)12-17-11(15-5)18-13(19-12)21-8-7-16-9-21/h7-10H,1-6H3,(H,15,17,18,19)
InChIKeyRWZHSHAYDITLSK-UHFFFAOYSA-N
XLogP1.97
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790015
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82751261
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
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-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827415

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C(C)C(C)(C)C)nc(-n2ccnc2)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RWZHSHAYDITLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-10(14(2,3)4)20(6)12-17-11(15-5)18-13(19-12)21-8-7-16-9-21/h7-10H,1-6H3,(H,15,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80789035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).