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

C14H20N6O — CID 80773890

IUPAC2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C14H20N6O/c1-10(2)21-14-18-12(15)17-13(19-14)20(3)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyBVEMHCKQPQENOY-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.31
Rot. Bonds6

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

2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773890) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773890
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C14H20N6O/c1-10(2)21-14-18-12(15)17-13(19-14)20(3)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyBVEMHCKQPQENOY-UHFFFAOYSA-N
XLogP1.31
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80773890) is 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BVEMHCKQPQENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)21-14-18-12(15)17-13(19-14)20(3)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).