2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H21N7 — CID 114542122

IUPAC2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)(C)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H21N7/c1-14(2)5-4-10(8-14)17-12-18-11(15-3)19-13(20-12)21-7-6-16-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,18,19,20)
InChIKeyCQYXYUOTALKCTJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.09
Rot. Bonds4

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

2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 114542122) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID114542122
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)(C)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H21N7/c1-14(2)5-4-10(8-14)17-12-18-11(15-3)19-13(20-12)21-7-6-16-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,18,19,20)
InChIKeyCQYXYUOTALKCTJ-UHFFFAOYSA-N
XLogP2.09
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 114542122) is 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCC(C)(C)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CQYXYUOTALKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-14(2)5-4-10(8-14)17-12-18-11(15-3)19-13(20-12)21-7-6-16-9-21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,18,19,20).
What are the key properties of 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114542122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).