N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine

C12H16ClN5 — CID 113453078

IUPACN-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
SMILESCCCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C12H16ClN5/c1-2-3-6-18(8-4-5-8)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyYHOBNHUUNXMQIW-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.78
Rot. Bonds5

About N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine

N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine (PubChem CID 113453078) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
PubChem CID113453078
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC NameN-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
SMILESCCCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C12H16ClN5/c1-2-3-6-18(8-4-5-8)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyYHOBNHUUNXMQIW-UHFFFAOYSA-N
XLogP2.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
CID 104697863
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
CID 104787272
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2-chloro-6-pentylsulfanyl-7H-purine
CID 107751100
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2,6-dichloro-7H-purine;tetrabutylazanium
CID 87468349
N-butyl-2-chloro-N-cyclopropyl-6-methyl-5-nitropyrimidin-4-amine
CID 114043194
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine?
The IUPAC name of N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine (CID 113453078) is N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine.
What is the SMILES notation for N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine?
The canonical SMILES for N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine is CCCCN(c1nc(Cl)nc2nc[nH]c12)C1CC1.
What is the InChIKey of N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine?
The InChIKey is YHOBNHUUNXMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-2-3-6-18(8-4-5-8)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,2-6H2,1H3,(H,14,15,16,17).
What are the key properties of N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine?
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine has a molecular weight of 265.75 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine is sourced from PubChem (CID 113453078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).