N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine

C10H15N5 — CID 67967892

IUPACN-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
SMILESCC[C@@H](C)Nc1nc(C)nc2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-4-6(2)13-10-8-9(12-5-11-8)14-7(3)15-10/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyDZIPCPRKAKPGFS-ZCFIWIBFSA-N
MW205.26 g/mol
LogP1.87
Rot. Bonds3

About N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine

N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine (PubChem CID 67967892) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
PubChem CID67967892
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
SMILESCC[C@@H](C)Nc1nc(C)nc2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-4-6(2)13-10-8-9(12-5-11-8)14-7(3)15-10/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyDZIPCPRKAKPGFS-ZCFIWIBFSA-N
XLogP1.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 104697639
6-ethyl-2-methyl-7H-purine
CID 176927465
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
CID 154596530
3-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104697610
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
CID 141417771
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
CID 118317169
(2R,3R)-2-[(2-chloro-7H-purin-6-yl)amino]-3-methylpentanoic acid
CID 97266253
N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine
CID 68522169

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine (CID 67967892) is N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine is CC[C@@H](C)Nc1nc(C)nc2nc[nH]c12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine?
The InChIKey is DZIPCPRKAKPGFS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-6(2)13-10-8-9(12-5-11-8)14-7(3)15-10/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine?
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine has a molecular weight of 205.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine is sourced from PubChem (CID 67967892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).