2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C11H20N6O — CID 80803159

IUPAC2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC2CCN(C)C2)n1
InChIInChI=1S/C11H20N6O/c1-3-6-18-11-15-9(12)14-10(16-11)13-8-4-5-17(2)7-8/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyINKQKQONTNXTAW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.36
Rot. Bonds5

About 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80803159) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80803159
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC2CCN(C)C2)n1
InChIInChI=1S/C11H20N6O/c1-3-6-18-11-15-9(12)14-10(16-11)13-8-4-5-17(2)7-8/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyINKQKQONTNXTAW-UHFFFAOYSA-N
XLogP0.36
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114542042
2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80802963
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746491
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80901082
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686
[2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
CID 106368273
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80803159) is 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC2CCN(C)C2)n1.
What is the InChIKey of 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is INKQKQONTNXTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-6-18-11-15-9(12)14-10(16-11)13-8-4-5-17(2)7-8/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80803159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).