4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine

C12H16ClN5O — CID 114160296

IUPAC4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
SMILESC#CCCCNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16ClN5O/c1-2-3-4-5-14-11-15-10(13)16-12(17-11)18-6-8-19-9-7-18/h1H,3-9H2,(H,14,15,16,17)
InChIKeySFJXWLGFQSKPQR-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.19
Rot. Bonds5

About 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine

4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine (PubChem CID 114160296) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
PubChem CID114160296
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
SMILESC#CCCCNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16ClN5O/c1-2-3-4-5-14-11-15-10(13)16-12(17-11)18-6-8-19-9-7-18/h1H,3-9H2,(H,14,15,16,17)
InChIKeySFJXWLGFQSKPQR-UHFFFAOYSA-N
XLogP1.19
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62864878
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine (CID 114160296) is 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine is C#CCCCNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine?
The InChIKey is SFJXWLGFQSKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-2-3-4-5-14-11-15-10(13)16-12(17-11)18-6-8-19-9-7-18/h1H,3-9H2,(H,14,15,16,17).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine?
4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine has a molecular weight of 281.75 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114160296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).