3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride

C14H22ClN5 — CID 135731686

IUPAC3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride
SMILESCC/N=c1\ncn(CC2CC2)c2nc(C(C)C)[nH]c12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-15-13-11-14(18-12(17-11)9(2)3)19(8-16-13)7-10-5-6-10;/h8-10H,4-7H2,1-3H3,(H,17,18);1H/b15-13-;
InChIKeyFEOJAYAIGFQWOD-ZDCVYKBASA-N
MW295.82 g/mol
LogP2.64
Rot. Bonds4

About 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride

3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride (PubChem CID 135731686) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride
PubChem CID135731686
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride
SMILESCC/N=c1\ncn(CC2CC2)c2nc(C(C)C)[nH]c12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-15-13-11-14(18-12(17-11)9(2)3)19(8-16-13)7-10-5-6-10;/h8-10H,4-7H2,1-3H3,(H,17,18);1H/b15-13-;
InChIKeyFEOJAYAIGFQWOD-ZDCVYKBASA-N
XLogP2.64
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride?
The IUPAC name of 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride (CID 135731686) is 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride?
The canonical SMILES for 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride is CC/N=c1\ncn(CC2CC2)c2nc(C(C)C)[nH]c12.Cl.
What is the InChIKey of 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride?
The InChIKey is FEOJAYAIGFQWOD-ZDCVYKBASA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-4-15-13-11-14(18-12(17-11)9(2)3)19(8-16-13)7-10-5-6-10;/h8-10H,4-7H2,1-3H3,(H,17,18);1H/b15-13-;.
What are the key properties of 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride?
3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine;hydrochloride is sourced from PubChem (CID 135731686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).