7-butan-2-yl-2-chloro-N-ethylpurin-6-amine

C11H16ClN5 — CID 82460383

IUPAC7-butan-2-yl-2-chloro-N-ethylpurin-6-amine
SMILESCCNc1nc(Cl)nc2ncn(C(C)CC)c12
InChIInChI=1S/C11H16ClN5/c1-4-7(3)17-6-14-10-8(17)9(13-5-2)15-11(12)16-10/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyWFUZXWSDZFXOGF-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.88
Rot. Bonds4

About 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine

7-butan-2-yl-2-chloro-N-ethylpurin-6-amine (PubChem CID 82460383) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine.

Molecular Properties

Compound Name7-butan-2-yl-2-chloro-N-ethylpurin-6-amine
PubChem CID82460383
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name7-butan-2-yl-2-chloro-N-ethylpurin-6-amine
SMILESCCNc1nc(Cl)nc2ncn(C(C)CC)c12
InChIInChI=1S/C11H16ClN5/c1-4-7(3)17-6-14-10-8(17)9(13-5-2)15-11(12)16-10/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyWFUZXWSDZFXOGF-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
CID 82460403
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
2-chloro-N,7-bis(2-methylpropyl)purin-6-amine
CID 82460374
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
CID 82460380
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
CID 82460484
2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
CID 82460237
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
7-butan-2-yl-N-(2,3-dimethylhexa-1,5-dien-3-yl)purin-6-amine
CID 143942032

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine?
The IUPAC name of 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine (CID 82460383) is 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine.
What is the SMILES notation for 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine?
The canonical SMILES for 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine is CCNc1nc(Cl)nc2ncn(C(C)CC)c12.
What is the InChIKey of 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine?
The InChIKey is WFUZXWSDZFXOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-4-7(3)17-6-14-10-8(17)9(13-5-2)15-11(12)16-10/h6-7H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine?
7-butan-2-yl-2-chloro-N-ethylpurin-6-amine has a molecular weight of 253.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-chloro-N-ethylpurin-6-amine is sourced from PubChem (CID 82460383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).