9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine

C10H17N5 — CID 66624303

IUPAC9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine
SMILESCC[C@@H](C)N1C=NC2C(N)=NC(C)=NC21
InChIInChI=1S/C10H17N5/c1-4-6(2)15-5-12-8-9(11)13-7(3)14-10(8)15/h5-6,8,10H,4H2,1-3H3,(H2,11,13,14)/t6-,8?,10?/m1/s1
InChIKeyBTIKRCHVBGWXAD-CACVWYNPSA-N
MW207.28 g/mol
LogP0.61
Rot. Bonds2

About 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine

9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine (PubChem CID 66624303) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine.

Molecular Properties

Compound Name9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine
PubChem CID66624303
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine
SMILESCC[C@@H](C)N1C=NC2C(N)=NC(C)=NC21
InChIInChI=1S/C10H17N5/c1-4-6(2)15-5-12-8-9(11)13-7(3)14-10(8)15/h5-6,8,10H,4H2,1-3H3,(H2,11,13,14)/t6-,8?,10?/m1/s1
InChIKeyBTIKRCHVBGWXAD-CACVWYNPSA-N
XLogP0.61
TPSA66.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine?
The IUPAC name of 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine (CID 66624303) is 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine.
What is the SMILES notation for 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine?
The canonical SMILES for 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine is CC[C@@H](C)N1C=NC2C(N)=NC(C)=NC21.
What is the InChIKey of 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine?
The InChIKey is BTIKRCHVBGWXAD-CACVWYNPSA-N. The full InChI is InChI=1S/C10H17N5/c1-4-6(2)15-5-12-8-9(11)13-7(3)14-10(8)15/h5-6,8,10H,4H2,1-3H3,(H2,11,13,14)/t6-,8?,10?/m1/s1.
What are the key properties of 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine?
9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine has a molecular weight of 207.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-butan-2-yl]-2-methyl-4,5-dihydropurin-6-amine is sourced from PubChem (CID 66624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).