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

C13H22ClN5O — CID 80852697

IUPAC6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-6-15-12-16-11(14)17-13(18-12)19(2)7-8-20-9-10-4-5-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyRZHFJIAUUGOWDR-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.21
Rot. Bonds9

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

6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80852697) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80852697
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-6-15-12-16-11(14)17-13(18-12)19(2)7-8-20-9-10-4-5-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyRZHFJIAUUGOWDR-UHFFFAOYSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779089
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
2-N-(2-methoxyethyl)-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795524
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
6-chloro-2-N-cyclopropyl-2-N-(3-methylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820771
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid
CID 86665988
2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
CID 114043906
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80852697) is 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(C)CCOCC2CC2)n1.
What is the InChIKey of 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RZHFJIAUUGOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-6-15-12-16-11(14)17-13(18-12)19(2)7-8-20-9-10-4-5-10/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 299.81 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80852697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).