N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine

C12H22N4O2 — CID 80861625

IUPACN-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H22N4O2/c1-6-8-17-10-14-9(13-5)15-11(16-10)18-12(3,4)7-2/h6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyPZXUVZLNYLCYHT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.27
Rot. Bonds7

About N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80861625) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80861625
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H22N4O2/c1-6-8-17-10-14-9(13-5)15-11(16-10)18-12(3,4)7-2/h6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyPZXUVZLNYLCYHT-UHFFFAOYSA-N
XLogP2.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

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Related Compounds

N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine (CID 80861625) is N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(OC(C)(C)CC)n1.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is PZXUVZLNYLCYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-8-17-10-14-9(13-5)15-11(16-10)18-12(3,4)7-2/h6-8H2,1-5H3,(H,13,14,15,16).
What are the key properties of N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).