N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine

C15H21N5O — CID 10541299

IUPACN-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine
SMILESCCCOc1nc(NC2CC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C15H21N5O/c1-2-7-21-15-18-13(17-11-5-6-11)12-14(19-15)20(9-16-12)8-10-3-4-10/h9-11H,2-8H2,1H3,(H,17,18,19)
InChIKeyBHWNBXNLBRTSGJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.60
Rot. Bonds7

About N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine

N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine (PubChem CID 10541299) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine
PubChem CID10541299
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine
SMILESCCCOc1nc(NC2CC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C15H21N5O/c1-2-7-21-15-18-13(17-11-5-6-11)12-14(19-15)20(9-16-12)8-10-3-4-10/h9-11H,2-8H2,1H3,(H,17,18,19)
InChIKeyBHWNBXNLBRTSGJ-UHFFFAOYSA-N
XLogP2.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-butyl-N-cyclopropylpurin-6-amine
CID 10799535
[4-[[9-(cyclobutylmethyl)-6-(3,5-dimethoxyanilino)purin-2-yl]amino]cyclohexyl]methanol
CID 176909271
6-N-cyclopropyl-9-[2-(dimethylphosphorylmethoxy)ethyl]purine-2,6-diamine;9-[2-(dimethylphosphorylmethoxy)ethyl]-6-N-methylpurine-2,6-diamine
CID 90869359
[(2R,5R)-5-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]oxolan-2-yl]phosphonic acid
CID 70147461
2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine
CID 129302030
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine
CID 11417274
ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;tetrakis(propan-2-amine);propan-2-yl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]phosphoryl]amino]propanoate;tetrahydrochloride
CID 158670973
ethyl (2S)-2-[[[(2S)-1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-fluoropropan-2-yl]oxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 54768441
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
2-N-(4-aminocyclohexyl)-6-N-benzyl-9-propylpurine-2,6-diamine
CID 18473319
(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
CID 71004119

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine?
The IUPAC name of N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine (CID 10541299) is N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine is CCCOc1nc(NC2CC2)c2ncn(CC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine?
The InChIKey is BHWNBXNLBRTSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-7-21-15-18-13(17-11-5-6-11)12-14(19-15)20(9-16-12)8-10-3-4-10/h9-11H,2-8H2,1H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine?
N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine has a molecular weight of 287.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(cyclopropylmethyl)-2-propoxypurin-6-amine is sourced from PubChem (CID 10541299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).