N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine

C18H27N5OS — CID 142808637

IUPACN-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine
SMILESCSc1nc(N(C)C2CCCCC2)c2ncn(C3CCC(C)O3)c2n1
InChIInChI=1S/C18H27N5OS/c1-12-9-10-14(24-12)23-11-19-15-16(20-18(25-3)21-17(15)23)22(2)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3
InChIKeyHCFWNVXPGOQQCU-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.01
Rot. Bonds4

About N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine

N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine (PubChem CID 142808637) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine
PubChem CID142808637
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine
SMILESCSc1nc(N(C)C2CCCCC2)c2ncn(C3CCC(C)O3)c2n1
InChIInChI=1S/C18H27N5OS/c1-12-9-10-14(24-12)23-11-19-15-16(20-18(25-3)21-17(15)23)22(2)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3
InChIKeyHCFWNVXPGOQQCU-UHFFFAOYSA-N
XLogP4.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine?
The IUPAC name of N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine (CID 142808637) is N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine is CSc1nc(N(C)C2CCCCC2)c2ncn(C3CCC(C)O3)c2n1.
What is the InChIKey of N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine?
The InChIKey is HCFWNVXPGOQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-12-9-10-14(24-12)23-11-19-15-16(20-18(25-3)21-17(15)23)22(2)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine?
N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine has a molecular weight of 361.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine is sourced from PubChem (CID 142808637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).