2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 80775578

IUPAC2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)C(C)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-7-17-11-14-9(12)13-10(15-11)16(4)8(3)6-2/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyPBLLCELAWZSHRE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.48
Rot. Bonds6

About 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80775578) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80775578
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)C(C)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-7-17-11-14-9(12)13-10(15-11)16(4)8(3)6-2/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyPBLLCELAWZSHRE-UHFFFAOYSA-N
XLogP1.48
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80810648
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 80796977
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
2-N,2-N-dimethyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 106451415
2-N-methyl-2-N-(2-methylcyclohexyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80820928

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80775578) is 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(C)C(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is PBLLCELAWZSHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-7-17-11-14-9(12)13-10(15-11)16(4)8(3)6-2/h8H,5-7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).