4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H16ClN5O2 — CID 62864878

IUPAC4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(Cl)nc(N3CCOCC3)n2)o1
InChIInChI=1S/C13H16ClN5O2/c1-9-2-3-10(21-9)8-15-12-16-11(14)17-13(18-12)19-4-6-20-7-5-19/h2-3H,4-8H2,1H3,(H,15,16,17,18)
InChIKeyMDOSIGPHQIVFOD-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.88
Rot. Bonds4

About 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62864878) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62864878
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(Cl)nc(N3CCOCC3)n2)o1
InChIInChI=1S/C13H16ClN5O2/c1-9-2-3-10(21-9)8-15-12-16-11(14)17-13(18-12)19-4-6-20-7-5-19/h2-3H,4-8H2,1H3,(H,15,16,17,18)
InChIKeyMDOSIGPHQIVFOD-UHFFFAOYSA-N
XLogP1.88
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
4-chloro-6-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194336
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
CID 114160296
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
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
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
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-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 62864878) is 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(CNc2nc(Cl)nc(N3CCOCC3)n2)o1.
What is the InChIKey of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MDOSIGPHQIVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-9-2-3-10(21-9)8-15-12-16-11(14)17-13(18-12)19-4-6-20-7-5-19/h2-3H,4-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 309.76 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).