4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine

C13H14Cl2N6 — CID 87510013

IUPAC4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine
SMILESClc1nc(N2CCC2)c2nc(Cl)c(NC3CCC3)nc2n1
InChIInChI=1S/C13H14Cl2N6/c14-9-11(16-7-3-1-4-7)18-10-8(17-9)12(20-13(15)19-10)21-5-2-6-21/h7H,1-6H2,(H,16,18,19,20)
InChIKeyCTFDAXJQLRTJPR-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.90
Rot. Bonds3

About 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine

4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine (PubChem CID 87510013) has the molecular formula C13H14Cl2N6 and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine
PubChem CID87510013
Molecular FormulaC13H14Cl2N6
Molecular Weight325.20 g/mol
Exact Mass324.07
IUPAC Name4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine
SMILESClc1nc(N2CCC2)c2nc(Cl)c(NC3CCC3)nc2n1
InChIInChI=1S/C13H14Cl2N6/c14-9-11(16-7-3-1-4-7)18-10-8(17-9)12(20-13(15)19-10)21-5-2-6-21/h7H,1-6H2,(H,16,18,19,20)
InChIKeyCTFDAXJQLRTJPR-UHFFFAOYSA-N
XLogP2.90
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine?
The IUPAC name of 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine (CID 87510013) is 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine?
The canonical SMILES for 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine is Clc1nc(N2CCC2)c2nc(Cl)c(NC3CCC3)nc2n1.
What is the InChIKey of 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine?
The InChIKey is CTFDAXJQLRTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N6/c14-9-11(16-7-3-1-4-7)18-10-8(17-9)12(20-13(15)19-10)21-5-2-6-21/h7H,1-6H2,(H,16,18,19,20).
What are the key properties of 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine?
4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine has a molecular weight of 325.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine is sourced from PubChem (CID 87510013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).