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

C12H21N5O — CID 114542042

IUPAC2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H21N5O/c1-3-6-18-12-16-10(13)15-11(17-12)14-9-5-4-8(2)7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyBRQPTHYIVUSUSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds5

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

2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 114542042) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID114542042
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H21N5O/c1-3-6-18-12-16-10(13)15-11(17-12)14-9-5-4-8(2)7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyBRQPTHYIVUSUSH-UHFFFAOYSA-N
XLogP1.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
[2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
CID 106368273
4-(3,5-dimethylcyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-amine
CID 80877748
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
4-hydrazinyl-N-(2-methyloxan-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 114110111
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80837854
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 114542042) is 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC2CCC(C)C2)n1.
What is the InChIKey of 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BRQPTHYIVUSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-6-18-12-16-10(13)15-11(17-12)14-9-5-4-8(2)7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114542042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).