2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C13H21N7S — CID 80812957

IUPAC2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCc2scnc2C)nc(N(C)C)n1
InChIInChI=1S/C13H21N7S/c1-5-6-14-11-17-12(19-13(18-11)20(3)4)15-7-10-9(2)16-8-21-10/h8H,5-7H2,1-4H3,(H2,14,15,17,18,19)
InChIKeyFHJGELISAAKUIS-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.14
Rot. Bonds7

About 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80812957) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80812957
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCc2scnc2C)nc(N(C)C)n1
InChIInChI=1S/C13H21N7S/c1-5-6-14-11-17-12(19-13(18-11)20(3)4)15-7-10-9(2)16-8-21-10/h8H,5-7H2,1-4H3,(H2,14,15,17,18,19)
InChIKeyFHJGELISAAKUIS-UHFFFAOYSA-N
XLogP2.14
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80790537
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80812957) is 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCc2scnc2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FHJGELISAAKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-5-6-14-11-17-12(19-13(18-11)20(3)4)15-7-10-9(2)16-8-21-10/h8H,5-7H2,1-4H3,(H2,14,15,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 307.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).