N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine

C13H17N5 — CID 10824144

IUPACN-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine
SMILESCC(C1CC1)n1cnc2c(NC3CC3)ncnc21
InChIInChI=1S/C13H17N5/c1-8(9-2-3-9)18-7-16-11-12(17-10-4-5-10)14-6-15-13(11)18/h6-10H,2-5H2,1H3,(H,14,15,17)
InChIKeyKJNZYCPOHXXWGD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds4

About N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine

N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine (PubChem CID 10824144) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine
PubChem CID10824144
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine
SMILESCC(C1CC1)n1cnc2c(NC3CC3)ncnc21
InChIInChI=1S/C13H17N5/c1-8(9-2-3-9)18-7-16-11-12(17-10-4-5-10)14-6-15-13(11)18/h6-10H,2-5H2,1H3,(H,14,15,17)
InChIKeyKJNZYCPOHXXWGD-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine (CID 10824144) is N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine is CC(C1CC1)n1cnc2c(NC3CC3)ncnc21.
What is the InChIKey of N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine?
The InChIKey is KJNZYCPOHXXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8(9-2-3-9)18-7-16-11-12(17-10-4-5-10)14-6-15-13(11)18/h6-10H,2-5H2,1H3,(H,14,15,17).
What are the key properties of N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine?
N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine has a molecular weight of 243.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(1-cyclopropylethyl)purin-6-amine is sourced from PubChem (CID 10824144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).