4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C14H20N6O — CID 80771725

IUPAC4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccncc2)nc(OC(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-14-19-12(15-4)18-13(20-14)17-10(3)11-5-7-16-8-6-11/h5-10H,1-4H3,(H2,15,17,18,19,20)
InChIKeyYQKSXASSXRDWMX-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.27
Rot. Bonds6

About 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80771725) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80771725
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccncc2)nc(OC(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-14-19-12(15-4)18-13(20-14)17-10(3)11-5-7-16-8-6-11/h5-10H,1-4H3,(H2,15,17,18,19,20)
InChIKeyYQKSXASSXRDWMX-UHFFFAOYSA-N
XLogP2.27
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847578
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
4-N-ethyl-2-N-[1-(furan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80775608
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 116795499
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80784400
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80771725) is 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)c2ccncc2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YQKSXASSXRDWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)21-14-19-12(15-4)18-13(20-14)17-10(3)11-5-7-16-8-6-11/h5-10H,1-4H3,(H2,15,17,18,19,20).
What are the key properties of 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).