N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H27N5O — CID 80844224

IUPACN-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-11(2)10-12(3)21-15-18-13(16-4)17-14(19-15)20-8-6-5-7-9-20/h11-12H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyGVRFKBZMJBELBL-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80844224) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80844224
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-11(2)10-12(3)21-15-18-13(16-4)17-14(19-15)20-8-6-5-7-9-20/h11-12H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyGVRFKBZMJBELBL-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 103491759
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
2-N-methyl-4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80788697
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 29131756
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 29139852

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80844224) is N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(OC(C)CC(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GVRFKBZMJBELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11(2)10-12(3)21-15-18-13(16-4)17-14(19-15)20-8-6-5-7-9-20/h11-12H,5-10H2,1-4H3,(H,16,17,18,19).
What are the key properties of N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 293.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).