2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C10H9N5S — CID 175868302

IUPAC2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2cscn2)nc2[nH]ccc12
InChIInChI=1S/C10H9N5S/c11-9-7-1-2-12-10(7)15-8(14-9)3-6-4-16-5-13-6/h1-2,4-5H,3H2,(H3,11,12,14,15)
InChIKeyJLUQRGSIZYOHHP-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.59
Rot. Bonds2

About 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175868302) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175868302
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2cscn2)nc2[nH]ccc12
InChIInChI=1S/C10H9N5S/c11-9-7-1-2-12-10(7)15-8(14-9)3-6-4-16-5-13-6/h1-2,4-5H,3H2,(H3,11,12,14,15)
InChIKeyJLUQRGSIZYOHHP-UHFFFAOYSA-N
XLogP1.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336159
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
CID 73012701
2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144753975
2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151254482
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
4-(1,3-thiazol-4-ylmethyl)phenol
CID 23553308
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141391150
1,3-thiazol-4-ylmethylsulfanylmethanamine
CID 130369230
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175179905

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175868302) is 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2cscn2)nc2[nH]ccc12.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JLUQRGSIZYOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-9-7-1-2-12-10(7)15-8(14-9)3-6-4-16-5-13-6/h1-2,4-5H,3H2,(H3,11,12,14,15).
What are the key properties of 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 231.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175868302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).