4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H22ClN5O — CID 62863402

IUPAC4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCC(C)C(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-9(2)10(3)15-12-16-11(14)17-13(18-12)19-5-7-20-8-6-19/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyHSKGHVIWNOAVMP-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.21
Rot. Bonds5

About 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62863402) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62863402
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCC(C)C(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-9(2)10(3)15-12-16-11(14)17-13(18-12)19-5-7-20-8-6-19/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyHSKGHVIWNOAVMP-UHFFFAOYSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Analyze 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
4-chloro-N-(2,2-dimethylcyclopropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 55124915
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 62863402) is 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCC(C)C(C)Nc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HSKGHVIWNOAVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-9(2)10(3)15-12-16-11(14)17-13(18-12)19-5-7-20-8-6-19/h9-10H,4-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).