6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine

C15H25ClN5O2P — CID 141106992

IUPAC6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
SMILESCC(C)P(=O)(COCCCn1cnc2c(Cl)nc(N)nc21)C(C)C
InChIInChI=1S/C15H25ClN5O2P/c1-10(2)24(22,11(3)4)9-23-7-5-6-21-8-18-12-13(16)19-15(17)20-14(12)21/h8,10-11H,5-7,9H2,1-4H3,(H2,17,19,20)
InChIKeyFAKBMBJUVHVQBU-UHFFFAOYSA-N
MW373.83 g/mol
LogP3.61
Rot. Bonds8

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

6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine (PubChem CID 141106992) has the molecular formula C15H25ClN5O2P and a molecular weight of 373.83 g/mol. Its IUPAC name is 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
PubChem CID141106992
Molecular FormulaC15H25ClN5O2P
Molecular Weight373.83 g/mol
Exact Mass373.14
IUPAC Name6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
SMILESCC(C)P(=O)(COCCCn1cnc2c(Cl)nc(N)nc21)C(C)C
InChIInChI=1S/C15H25ClN5O2P/c1-10(2)24(22,11(3)4)9-23-7-5-6-21-8-18-12-13(16)19-15(17)20-14(12)21/h8,10-11H,5-7,9H2,1-4H3,(H2,17,19,20)
InChIKeyFAKBMBJUVHVQBU-UHFFFAOYSA-N
XLogP3.61
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
6-chloro-9-[(2R)-2-(diethoxyphosphorylmethoxy)propyl]purin-2-amine
CID 118462107
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid
CID 59801651
[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881878
[3-[1-(2-amino-6-chloropurin-9-yl)propan-2-yloxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid
CID 18936549
azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
CID 10688070
[1-[(2-amino-6-chloropurin-9-yl)methyl]cyclopropyl]methoxymethylphosphonic acid
CID 87586817
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
CID 10516417
[2-(2-amino-6-propoxypurin-9-yl)ethoxymethyl-methylphosphoryl]oxymethyl propan-2-yl carbonate
CID 70986314

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine (CID 141106992) is 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine is CC(C)P(=O)(COCCCn1cnc2c(Cl)nc(N)nc21)C(C)C.
What is the InChIKey of 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine?
The InChIKey is FAKBMBJUVHVQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN5O2P/c1-10(2)24(22,11(3)4)9-23-7-5-6-21-8-18-12-13(16)19-15(17)20-14(12)21/h8,10-11H,5-7,9H2,1-4H3,(H2,17,19,20).
What are the key properties of 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine?
6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine has a molecular weight of 373.83 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine is sourced from PubChem (CID 141106992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).