5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine

C18H22N8O — CID 59333669

IUPAC5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc(N3CCOCC3)c3ncn(CC4CC4)c3n2)cn1
InChIInChI=1S/C18H22N8O/c1-19-18-20-8-13(9-21-18)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(11-22-14)10-12-2-3-12/h8-9,11-12H,2-7,10H2,1H3,(H,19,20,21)
InChIKeyVJPIOWQJOIVXPP-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.57
Rot. Bonds5

About 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine

5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 59333669) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
PubChem CID59333669
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc(N3CCOCC3)c3ncn(CC4CC4)c3n2)cn1
InChIInChI=1S/C18H22N8O/c1-19-18-20-8-13(9-21-18)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(11-22-14)10-12-2-3-12/h8-9,11-12H,2-7,10H2,1H3,(H,19,20,21)
InChIKeyVJPIOWQJOIVXPP-UHFFFAOYSA-N
XLogP1.57
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine (CID 59333669) is 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine is CNc1ncc(-c2nc(N3CCOCC3)c3ncn(CC4CC4)c3n2)cn1.
What is the InChIKey of 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine?
The InChIKey is VJPIOWQJOIVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-19-18-20-8-13(9-21-18)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(11-22-14)10-12-2-3-12/h8-9,11-12H,2-7,10H2,1H3,(H,19,20,21).
What are the key properties of 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine?
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 59333669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).