N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine

C15H22FN5 — CID 141297889

IUPACN-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCC3CCCCC3)nc(F)nc21
InChIInChI=1S/C15H22FN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyKWOYGZLQJKBLID-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.54
Rot. Bonds4

About N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine

N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine (PubChem CID 141297889) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine
PubChem CID141297889
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC NameN-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCC3CCCCC3)nc(F)nc21
InChIInChI=1S/C15H22FN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyKWOYGZLQJKBLID-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine (CID 141297889) is N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine is CC(C)n1cnc2c(NCC3CCCCC3)nc(F)nc21.
What is the InChIKey of N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine?
The InChIKey is KWOYGZLQJKBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine?
N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine has a molecular weight of 291.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-fluoro-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 141297889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).