2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

C12H22ClN5O — CID 80821370

IUPAC2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CCOC)C(C)CC)n1
InChIInChI=1S/C12H22ClN5O/c1-5-9(3)18(7-8-19-4)12-16-10(13)15-11(17-12)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyUVNMJTUIPFCSAJ-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.21
Rot. Bonds8

About 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80821370) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80821370
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CCOC)C(C)CC)n1
InChIInChI=1S/C12H22ClN5O/c1-5-9(3)18(7-8-19-4)12-16-10(13)15-11(17-12)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyUVNMJTUIPFCSAJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821053
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80787122
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (CID 80821370) is 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(CCOC)C(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UVNMJTUIPFCSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O/c1-5-9(3)18(7-8-19-4)12-16-10(13)15-11(17-12)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.80 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80821370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).