2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine

C10H14ClN5 — CID 104787141

IUPAC2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
SMILESCCN(c1nc(Cl)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C10H14ClN5/c1-4-16(6(2)3)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyFWUWFUBHJFTNEC-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine

2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine (PubChem CID 104787141) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
PubChem CID104787141
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
SMILESCCN(c1nc(Cl)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C10H14ClN5/c1-4-16(6(2)3)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15)
InChIKeyFWUWFUBHJFTNEC-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
CID 104787272
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 104697639
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine (CID 104787141) is 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine is CCN(c1nc(Cl)nc2nc[nH]c12)C(C)C.
What is the InChIKey of 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine?
The InChIKey is FWUWFUBHJFTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-4-16(6(2)3)9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine?
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine has a molecular weight of 239.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine is sourced from PubChem (CID 104787141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).