(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine

C13H26N6 — CID 71230303

IUPAC(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine
SMILESCC1=NC2C(N)NC=N[C@@H]2N1CCCNC(C)(C)C
InChIInChI=1S/C13H26N6/c1-9-18-10-11(14)15-8-16-12(10)19(9)7-5-6-17-13(2,3)4/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,16)/t10?,11?,12-/m1/s1
InChIKeyBFFQSFMZVRVLEV-HTAVTVPLSA-N
MW266.39 g/mol
LogP0.11
Rot. Bonds4

About (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine

(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine (PubChem CID 71230303) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine.

Molecular Properties

Compound Name(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine
PubChem CID71230303
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine
SMILESCC1=NC2C(N)NC=N[C@@H]2N1CCCNC(C)(C)C
InChIInChI=1S/C13H26N6/c1-9-18-10-11(14)15-8-16-12(10)19(9)7-5-6-17-13(2,3)4/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,16)/t10?,11?,12-/m1/s1
InChIKeyBFFQSFMZVRVLEV-HTAVTVPLSA-N
XLogP0.11
TPSA78.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine?
The IUPAC name of (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine (CID 71230303) is (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine.
What is the SMILES notation for (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine?
The canonical SMILES for (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine is CC1=NC2C(N)NC=N[C@@H]2N1CCCNC(C)(C)C.
What is the InChIKey of (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine?
The InChIKey is BFFQSFMZVRVLEV-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H26N6/c1-9-18-10-11(14)15-8-16-12(10)19(9)7-5-6-17-13(2,3)4/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,16)/t10?,11?,12-/m1/s1.
What are the key properties of (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine?
(4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine has a molecular weight of 266.39 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-[3-(tert-butylamino)propyl]-8-methyl-1,4,5,6-tetrahydropurin-6-amine is sourced from PubChem (CID 71230303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).