4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine

C13H13ClN4O — CID 139270644

IUPAC4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13ClN4O/c14-12-16-11(9-4-2-1-3-5-9)17-13(18-12)15-8-10-6-7-19-10/h1-5,10H,6-8H2,(H,15,16,17,18)
InChIKeyWHRPHFRZEUXNQH-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine

4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 139270644) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine
PubChem CID139270644
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13ClN4O/c14-12-16-11(9-4-2-1-3-5-9)17-13(18-12)15-8-10-6-7-19-10/h1-5,10H,6-8H2,(H,15,16,17,18)
InChIKeyWHRPHFRZEUXNQH-UHFFFAOYSA-N
XLogP2.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935698
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
4-N-(3-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880667
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932649
2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 159289441
4-N-(4-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880669
2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 139676139
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935690
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine (CID 139270644) is 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine is Clc1nc(NCC2CCO2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is WHRPHFRZEUXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-12-16-11(9-4-2-1-3-5-9)17-13(18-12)15-8-10-6-7-19-10/h1-5,10H,6-8H2,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine?
4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 276.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 139270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).