6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine

C11H13N7S — CID 114785367

IUPAC6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
SMILESCCC(Nc1nc(N)nc2nc[nH]c12)c1nccs1
InChIInChI=1S/C11H13N7S/c1-2-6(10-13-3-4-19-10)16-9-7-8(15-5-14-7)17-11(12)18-9/h3-6H,2H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyZJUCFAVDHFCKPT-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.95
Rot. Bonds4

About 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine

6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine (PubChem CID 114785367) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
PubChem CID114785367
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
SMILESCCC(Nc1nc(N)nc2nc[nH]c12)c1nccs1
InChIInChI=1S/C11H13N7S/c1-2-6(10-13-3-4-19-10)16-9-7-8(15-5-14-7)17-11(12)18-9/h3-6H,2H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyZJUCFAVDHFCKPT-UHFFFAOYSA-N
XLogP1.95
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 80824466
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine (CID 114785367) is 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine is CCC(Nc1nc(N)nc2nc[nH]c12)c1nccs1.
What is the InChIKey of 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine?
The InChIKey is ZJUCFAVDHFCKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c1-2-6(10-13-3-4-19-10)16-9-7-8(15-5-14-7)17-11(12)18-9/h3-6H,2H2,1H3,(H4,12,14,15,16,17,18).
What are the key properties of 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine?
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine has a molecular weight of 275.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).