4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C15H23N5 — CID 42624052

IUPAC4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc([C@@H]3C[C@@H]4CC[C@H]3C4)nc(N)n2)C1
InChIInChI=1S/C15H23N5/c1-17-11-7-20(8-11)14-6-13(18-15(16)19-14)12-5-9-2-3-10(12)4-9/h6,9-12,17H,2-5,7-8H2,1H3,(H2,16,18,19)/t9-,10+,12-/m1/s1
InChIKeyYWLDWZNFYKVDHU-JFGNBEQYSA-N
MW273.38 g/mol
LogP1.37
Rot. Bonds3

About 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 42624052) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID42624052
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc([C@@H]3C[C@@H]4CC[C@H]3C4)nc(N)n2)C1
InChIInChI=1S/C15H23N5/c1-17-11-7-20(8-11)14-6-13(18-15(16)19-14)12-5-9-2-3-10(12)4-9/h6,9-12,17H,2-5,7-8H2,1H3,(H2,16,18,19)/t9-,10+,12-/m1/s1
InChIKeyYWLDWZNFYKVDHU-JFGNBEQYSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 42624052) is 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1CN(c2cc([C@@H]3C[C@@H]4CC[C@H]3C4)nc(N)n2)C1.
What is the InChIKey of 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is YWLDWZNFYKVDHU-JFGNBEQYSA-N. The full InChI is InChI=1S/C15H23N5/c1-17-11-7-20(8-11)14-6-13(18-15(16)19-14)12-5-9-2-3-10(12)4-9/h6,9-12,17H,2-5,7-8H2,1H3,(H2,16,18,19)/t9-,10+,12-/m1/s1.
What are the key properties of 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).