N-methyl-2-propyl-7H-purin-8-amine

C9H13N5 — CID 175456681

IUPACN-methyl-2-propyl-7H-purin-8-amine
SMILESCCCc1ncc2[nH]c(NC)nc2n1
InChIInChI=1S/C9H13N5/c1-3-4-7-11-5-6-8(13-7)14-9(10-2)12-6/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyMUEUFBOWRRINOX-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-2-propyl-7H-purin-8-amine

N-methyl-2-propyl-7H-purin-8-amine (PubChem CID 175456681) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-2-propyl-7H-purin-8-amine.

Molecular Properties

Compound NameN-methyl-2-propyl-7H-purin-8-amine
PubChem CID175456681
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-2-propyl-7H-purin-8-amine
SMILESCCCc1ncc2[nH]c(NC)nc2n1
InChIInChI=1S/C9H13N5/c1-3-4-7-11-5-6-8(13-7)14-9(10-2)12-6/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyMUEUFBOWRRINOX-UHFFFAOYSA-N
XLogP1.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-7H-purin-8-amine?
The IUPAC name of N-methyl-2-propyl-7H-purin-8-amine (CID 175456681) is N-methyl-2-propyl-7H-purin-8-amine.
What is the SMILES notation for N-methyl-2-propyl-7H-purin-8-amine?
The canonical SMILES for N-methyl-2-propyl-7H-purin-8-amine is CCCc1ncc2[nH]c(NC)nc2n1.
What is the InChIKey of N-methyl-2-propyl-7H-purin-8-amine?
The InChIKey is MUEUFBOWRRINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-4-7-11-5-6-8(13-7)14-9(10-2)12-6/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-methyl-2-propyl-7H-purin-8-amine?
N-methyl-2-propyl-7H-purin-8-amine has a molecular weight of 191.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyl-7H-purin-8-amine is sourced from PubChem (CID 175456681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).