2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 112746251

IUPAC2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(NC(CC)COC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-9-14-10(12)16-11(15-9)13-8(5-2)7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyATBYXFVGBWZDPZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.24
Rot. Bonds7

About 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine

2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 112746251) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
PubChem CID112746251
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(NC(CC)COC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-9-14-10(12)16-11(15-9)13-8(5-2)7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyATBYXFVGBWZDPZ-UHFFFAOYSA-N
XLogP1.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-Cyclopropyl-6-(morpholin-4-yl)-4-propyl-1,3,5-triazin-2(1H)-imine
CID 192460
1,3,5-Triazin-2-amine, 4-butoxy-N-ethyl-6-methyl-
CID 21312
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-6-propyl-
CID 199905
1,3,5-Triazin-2-amine, N-methyl-4-(4-morpholinyl)-6-propyl-, monohydrochloride
CID 3080167
1,3,5-Triazin-2-amine, N-(2-methoxyethyl)-4-(4-morpholinyl)-6-propyl-
CID 3080171
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
1,3,5-Triazin-2-amine, N-cyclopropyl-4-ethyl-6-(4-morpholinyl)-, monohydrochloride
CID 3073346

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine (CID 112746251) is 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine is CCCc1nc(N)nc(NC(CC)COC)n1.
What is the InChIKey of 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ATBYXFVGBWZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-6-9-14-10(12)16-11(15-9)13-8(5-2)7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine?
2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).