N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine

C13H16N6S — CID 97018966

IUPACN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
SMILESCC(C)c1nc([C@@H](C)Nc2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C13H16N6S/c1-7(2)13-19-9(4-20-13)8(3)18-12-10-11(15-5-14-10)16-6-17-12/h4-8H,1-3H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKeyWTCYHTGQFCAKKV-MRVPVSSYSA-N
MW288.38 g/mol
LogP3.11
Rot. Bonds4

About N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine

N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine (PubChem CID 97018966) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
PubChem CID97018966
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC NameN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
SMILESCC(C)c1nc([C@@H](C)Nc2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C13H16N6S/c1-7(2)13-19-9(4-20-13)8(3)18-12-10-11(15-5-14-10)16-6-17-12/h4-8H,1-3H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKeyWTCYHTGQFCAKKV-MRVPVSSYSA-N
XLogP3.11
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine (CID 97018966) is N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine is CC(C)c1nc([C@@H](C)Nc2ncnc3nc[nH]c23)cs1.
What is the InChIKey of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The InChIKey is WTCYHTGQFCAKKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-7(2)13-19-9(4-20-13)8(3)18-12-10-11(15-5-14-10)16-6-17-12/h4-8H,1-3H3,(H2,14,15,16,17,18)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine has a molecular weight of 288.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 97018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).