6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine

C15H24ClFN5OP — CID 57062350

IUPAC6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
SMILESCC(C)P(COC(CF)Cn1cnc2c(Cl)nc(N)nc21)C(C)C
InChIInChI=1S/C15H24ClFN5OP/c1-9(2)24(10(3)4)8-23-11(5-17)6-22-7-19-12-13(16)20-15(18)21-14(12)22/h7,9-11H,5-6,8H2,1-4H3,(H2,18,20,21)
InChIKeyIWOBDBHCFRSQAA-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.67
Rot. Bonds8

About 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine

6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine (PubChem CID 57062350) has the molecular formula C15H24ClFN5OP and a molecular weight of 375.82 g/mol. Its IUPAC name is 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
PubChem CID57062350
Molecular FormulaC15H24ClFN5OP
Molecular Weight375.82 g/mol
Exact Mass375.14
IUPAC Name6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
SMILESCC(C)P(COC(CF)Cn1cnc2c(Cl)nc(N)nc21)C(C)C
InChIInChI=1S/C15H24ClFN5OP/c1-9(2)24(10(3)4)8-23-11(5-17)6-22-7-19-12-13(16)20-15(18)21-14(12)22/h7,9-11H,5-6,8H2,1-4H3,(H2,18,20,21)
InChIKeyIWOBDBHCFRSQAA-UHFFFAOYSA-N
XLogP3.67
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine with MolForge

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Related Compounds

9-[(2S)-3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 68817309
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 67642946
6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57032218
6-chloro-9-[(2R)-2-(diethoxyphosphorylmethoxy)propyl]purin-2-amine
CID 118462107
6-chloro-9-[[(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxymethyl]purin-2-amine
CID 10318658
[3-[1-(2-amino-6-chloropurin-9-yl)propan-2-yloxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid
CID 18936549
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
CID 141106992
[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881878
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
CID 174675846
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine (CID 57062350) is 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine is CC(C)P(COC(CF)Cn1cnc2c(Cl)nc(N)nc21)C(C)C.
What is the InChIKey of 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The InChIKey is IWOBDBHCFRSQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFN5OP/c1-9(2)24(10(3)4)8-23-11(5-17)6-22-7-19-12-13(16)20-15(18)21-14(12)22/h7,9-11H,5-6,8H2,1-4H3,(H2,18,20,21).
What are the key properties of 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine has a molecular weight of 375.82 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine is sourced from PubChem (CID 57062350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).