2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H25N5O — CID 80793836

IUPAC2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-7-8-19-13-16-11(14-5)15-12(17-13)18(6)10(4)9(2)3/h9-10H,7-8H2,1-6H3,(H,14,15,16,17)
InChIKeyXIKOXFQUCQFCPD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.18
Rot. Bonds7

About 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80793836) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80793836
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-7-8-19-13-16-11(14-5)15-12(17-13)18(6)10(4)9(2)3/h9-10H,7-8H2,1-6H3,(H,14,15,16,17)
InChIKeyXIKOXFQUCQFCPD-UHFFFAOYSA-N
XLogP2.18
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80792678
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821462
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783446
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795742
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 107495210
2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80812961

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80793836) is 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(C)C(C)C(C)C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XIKOXFQUCQFCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-7-8-19-13-16-11(14-5)15-12(17-13)18(6)10(4)9(2)3/h9-10H,7-8H2,1-6H3,(H,14,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80793836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).