4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C11H18N4O — CID 63866982

IUPAC4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-7(2)10-13-9(14-11(12)15-10)6-8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPZGDLXRISIOQQW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.30
Rot. Bonds3

About 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 63866982) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID63866982
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-7(2)10-13-9(14-11(12)15-10)6-8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPZGDLXRISIOQQW-UHFFFAOYSA-N
XLogP1.30
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681487
6-(2-Heptyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 4109254
4-Cyclopentyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 55251401
4-Cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63866848
4-Cyclopropyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867613
4-Tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868348
4-Ethyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868461
4-Cyclopentyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868488
4-Methyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868708
4-(Oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868716
4-(Oxolan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63868726
4-Cyclohexyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868890

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 63866982) is 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(CC2CCCO2)n1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is PZGDLXRISIOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)10-13-9(14-11(12)15-10)6-8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).