2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine

C14H22N8O — CID 71654552

IUPAC2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine
SMILESCC(C)n1cnc2c(N=C(N)N)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C14H22N8O/c1-8(2)22-7-17-10-11(18-13(15)16)19-14(20-12(10)22)21-5-3-4-9(21)6-23/h7-9,23H,3-6H2,1-2H3,(H4,15,16,18,19,20)/t9-/m1/s1
InChIKeyUVVVCERSUBEYNO-SECBINFHSA-N
MW318.39 g/mol
LogP0.27
Rot. Bonds4

About 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine

2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine (PubChem CID 71654552) has the molecular formula C14H22N8O and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine.

Molecular Properties

Compound Name2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine
PubChem CID71654552
Molecular FormulaC14H22N8O
Molecular Weight318.39 g/mol
Exact Mass318.19
IUPAC Name2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine
SMILESCC(C)n1cnc2c(N=C(N)N)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C14H22N8O/c1-8(2)22-7-17-10-11(18-13(15)16)19-14(20-12(10)22)21-5-3-4-9(21)6-23/h7-9,23H,3-6H2,1-2H3,(H4,15,16,18,19,20)/t9-/m1/s1
InChIKeyUVVVCERSUBEYNO-SECBINFHSA-N
XLogP0.27
TPSA131.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine?
The IUPAC name of 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine (CID 71654552) is 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine.
What is the SMILES notation for 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine?
The canonical SMILES for 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine is CC(C)n1cnc2c(N=C(N)N)nc(N3CCC[C@@H]3CO)nc21.
What is the InChIKey of 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine?
The InChIKey is UVVVCERSUBEYNO-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N8O/c1-8(2)22-7-17-10-11(18-13(15)16)19-14(20-12(10)22)21-5-3-4-9(21)6-23/h7-9,23H,3-6H2,1-2H3,(H4,15,16,18,19,20)/t9-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine?
2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine has a molecular weight of 318.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]guanidine is sourced from PubChem (CID 71654552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).