N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine

C12H22N4O2 — CID 80865211

IUPACN-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCOc1nc(NC)nc(OCCC)n1
InChIInChI=1S/C12H22N4O2/c1-4-6-7-9-18-12-15-10(13-3)14-11(16-12)17-8-5-2/h4-9H2,1-3H3,(H,13,14,15,16)
InChIKeyYMLSFFWRSOJNKV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.27
Rot. Bonds9

About N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80865211) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80865211
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCOc1nc(NC)nc(OCCC)n1
InChIInChI=1S/C12H22N4O2/c1-4-6-7-9-18-12-15-10(13-3)14-11(16-12)17-8-5-2/h4-9H2,1-3H3,(H,13,14,15,16)
InChIKeyYMLSFFWRSOJNKV-UHFFFAOYSA-N
XLogP2.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861625
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine (CID 80865211) is N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine is CCCCCOc1nc(NC)nc(OCCC)n1.
What is the InChIKey of N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is YMLSFFWRSOJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-6-7-9-18-12-15-10(13-3)14-11(16-12)17-8-5-2/h4-9H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).