(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol

C16H26N6O — CID 71457748

IUPAC(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol
SMILESCCCn1cnc2c(NCC3CC3)nc(N[C@H](CC)CO)nc21
InChIInChI=1S/C16H26N6O/c1-3-7-22-10-18-13-14(17-8-11-5-6-11)20-16(21-15(13)22)19-12(4-2)9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)/t12-/m1/s1
InChIKeyGSKLSOCAAZJDKH-GFCCVEGCSA-N
MW318.43 g/mol
LogP2.24
Rot. Bonds9

About (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol

(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol (PubChem CID 71457748) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol
PubChem CID71457748
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol
SMILESCCCn1cnc2c(NCC3CC3)nc(N[C@H](CC)CO)nc21
InChIInChI=1S/C16H26N6O/c1-3-7-22-10-18-13-14(17-8-11-5-6-11)20-16(21-15(13)22)19-12(4-2)9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)/t12-/m1/s1
InChIKeyGSKLSOCAAZJDKH-GFCCVEGCSA-N
XLogP2.24
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.24
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-propylpurin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol (CID 71457748) is (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol is CCCn1cnc2c(NCC3CC3)nc(N[C@H](CC)CO)nc21.
What is the InChIKey of (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol?
The InChIKey is GSKLSOCAAZJDKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-7-22-10-18-13-14(17-8-11-5-6-11)20-16(21-15(13)22)19-12(4-2)9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol?
(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol has a molecular weight of 318.43 g/mol, XLogP of 2.24, 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-propylpurin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 71457748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).