8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine

C10H14N6 — CID 114608013

IUPAC8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(CNCC3CC3)[nH]c12
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16-7(15-8)4-12-3-6-1-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15,16)
InChIKeyILRJFOSMSBHVNJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.43
Rot. Bonds4

About 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine

8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine (PubChem CID 114608013) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine
PubChem CID114608013
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(CNCC3CC3)[nH]c12
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16-7(15-8)4-12-3-6-1-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15,16)
InChIKeyILRJFOSMSBHVNJ-UHFFFAOYSA-N
XLogP0.43
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine?
The IUPAC name of 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine (CID 114608013) is 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine.
What is the SMILES notation for 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine?
The canonical SMILES for 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine is Nc1ncnc2nc(CNCC3CC3)[nH]c12.
What is the InChIKey of 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine?
The InChIKey is ILRJFOSMSBHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16-7(15-8)4-12-3-6-1-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15,16).
What are the key properties of 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine?
8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine has a molecular weight of 218.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine is sourced from PubChem (CID 114608013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).