6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H20ClN5O — CID 80855459

IUPAC6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCC2(C)CCCO2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-6-14-10-16-9(13)17-11(18-10)15-8-12(2)5-4-7-19-12/h3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBVZQHUAZQHISQL-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.33
Rot. Bonds6

About 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80855459) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80855459
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCC2(C)CCCO2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-6-14-10-16-9(13)17-11(18-10)15-8-12(2)5-4-7-19-12/h3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBVZQHUAZQHISQL-UHFFFAOYSA-N
XLogP2.33
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80854388
[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
CID 115366362
4-hydrazinyl-6-methoxy-N-[(2-methyloxolan-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80929199
4-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638216
4-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80929061
6-bromo-2-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 116796139
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
2-tert-butyl-6-chloro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80951749
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80855459) is 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCC2(C)CCCO2)n1.
What is the InChIKey of 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BVZQHUAZQHISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-3-6-14-10-16-9(13)17-11(18-10)15-8-12(2)5-4-7-19-12/h3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.78 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80855459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).