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

C14H25N5O — CID 114541934

IUPAC6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCC(C)C2)nc(OCC)n1
InChIInChI=1S/C14H25N5O/c1-4-8-15-12-17-13(19-14(18-12)20-5-2)16-11-7-6-10(3)9-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyMRMIWXJPOHUMLJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.69
Rot. Bonds7

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

6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 114541934) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID114541934
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCC(C)C2)nc(OCC)n1
InChIInChI=1S/C14H25N5O/c1-4-8-15-12-17-13(19-14(18-12)20-5-2)16-11-7-6-10(3)9-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyMRMIWXJPOHUMLJ-UHFFFAOYSA-N
XLogP2.69
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841793
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114542042
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 114541934) is 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC2CCC(C)C2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MRMIWXJPOHUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-8-15-12-17-13(19-14(18-12)20-5-2)16-11-7-6-10(3)9-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114541934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).