4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine

C13H17ClN6O — CID 63706080

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(CC1CCCOC1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyRFGGLVFZJULDQY-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.57
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63706080) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63706080
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(CC1CCCOC1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyRFGGLVFZJULDQY-UHFFFAOYSA-N
XLogP1.57
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80817419
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80846060
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 82748550
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
5-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]pentan-1-ol
CID 107201782
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
CID 81062236
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine (CID 63706080) is 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine is CN(CC1CCCOC1)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is RFGGLVFZJULDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-19(7-10-3-2-6-21-8-10)12-16-11(14)17-13(18-12)20-5-4-15-9-20/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63706080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).