(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol

C14H22N6O — CID 118977540

IUPAC(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(N(C)C2CC2)c2ncn(C)c2n1
InChIInChI=1S/C14H22N6O/c1-4-9(7-21)16-14-17-12-11(15-8-19(12)2)13(18-14)20(3)10-5-6-10/h8-10,21H,4-7H2,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyZSVZPGSYZKUPQH-SECBINFHSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds6

About (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol

(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol (PubChem CID 118977540) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol
PubChem CID118977540
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(N(C)C2CC2)c2ncn(C)c2n1
InChIInChI=1S/C14H22N6O/c1-4-9(7-21)16-14-17-12-11(15-8-19(12)2)13(18-14)20(3)10-5-6-10/h8-10,21H,4-7H2,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyZSVZPGSYZKUPQH-SECBINFHSA-N
XLogP1.14
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol (CID 118977540) is (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(N(C)C2CC2)c2ncn(C)c2n1.
What is the InChIKey of (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol?
The InChIKey is ZSVZPGSYZKUPQH-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-9(7-21)16-14-17-12-11(15-8-19(12)2)13(18-14)20(3)10-5-6-10/h8-10,21H,4-7H2,1-3H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol?
(2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[cyclopropyl(methyl)amino]-9-methylpurin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 118977540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).