4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H17ClN6O — CID 106375383

IUPAC4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCc1cnc(CNc2nc(Cl)nc(N3CCCC3)n2)o1
InChIInChI=1S/C13H17ClN6O/c1-2-9-7-15-10(21-9)8-16-12-17-11(14)18-13(19-12)20-5-3-4-6-20/h7H,2-6,8H2,1H3,(H,16,17,18,19)
InChIKeyIWAWFTCKVPXEDA-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106375383) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106375383
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCc1cnc(CNc2nc(Cl)nc(N3CCCC3)n2)o1
InChIInChI=1S/C13H17ClN6O/c1-2-9-7-15-10(21-9)8-16-12-17-11(14)18-13(19-12)20-5-3-4-6-20/h7H,2-6,8H2,1H3,(H,16,17,18,19)
InChIKeyIWAWFTCKVPXEDA-UHFFFAOYSA-N
XLogP2.29
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106375383) is 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCc1cnc(CNc2nc(Cl)nc(N3CCCC3)n2)o1.
What is the InChIKey of 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IWAWFTCKVPXEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-2-9-7-15-10(21-9)8-16-12-17-11(14)18-13(19-12)20-5-3-4-6-20/h7H,2-6,8H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106375383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).