4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 103012354

IUPAC4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H21N7O/c1-4-9-21-13-18-11(14-2)17-12(19-13)15-7-5-10-6-8-16-20(10)3/h6,8H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyBWKLZNPAXWCJQK-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.09
Rot. Bonds8

About 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 103012354) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID103012354
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C13H21N7O/c1-4-9-21-13-18-11(14-2)17-12(19-13)15-7-5-10-6-8-16-20(10)3/h6,8H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyBWKLZNPAXWCJQK-UHFFFAOYSA-N
XLogP1.09
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 55205368
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
6-N,2,5-trimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 103012590
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 103012354) is 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCCc2ccnn2C)n1.
What is the InChIKey of 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BWKLZNPAXWCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-9-21-13-18-11(14-2)17-12(19-13)15-7-5-10-6-8-16-20(10)3/h6,8H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19).
What are the key properties of 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103012354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).