(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol

C17H28N6O — CID 138485262

IUPAC(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H28N6O/c1-4-5-13(9-24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(10-19-14)11(2)3/h10-13,24H,4-9H2,1-3H3,(H2,18,20,21,22)/t13-/m1/s1
InChIKeyZTRUHWUOENQTPX-CYBMUJFWSA-N
MW332.45 g/mol
LogP2.80
Rot. Bonds9

About (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol

(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol (PubChem CID 138485262) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol
PubChem CID138485262
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H28N6O/c1-4-5-13(9-24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(10-19-14)11(2)3/h10-13,24H,4-9H2,1-3H3,(H2,18,20,21,22)/t13-/m1/s1
InChIKeyZTRUHWUOENQTPX-CYBMUJFWSA-N
XLogP2.80
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol (CID 138485262) is (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol?
The InChIKey is ZTRUHWUOENQTPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-5-13(9-24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(10-19-14)11(2)3/h10-13,24H,4-9H2,1-3H3,(H2,18,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol?
(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol has a molecular weight of 332.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 138485262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).