2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H8N4O2S — CID 144753975

IUPAC2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C7H8N4O2S/c1-14(12,13)7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyAHWVDFJTZMNKFP-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.06
Rot. Bonds1

About 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 144753975) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID144753975
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C7H8N4O2S/c1-14(12,13)7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyAHWVDFJTZMNKFP-UHFFFAOYSA-N
XLogP-0.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
CID 73012701
2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141391150
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56873902
2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151254482
5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
CID 175477707
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175179905
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336818
2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175868302
4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 89306019
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 144753975) is 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CS(=O)(=O)c1nc(N)c2cc[nH]c2n1.
What is the InChIKey of 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AHWVDFJTZMNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-14(12,13)7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H3,8,9,10,11).
What are the key properties of 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 212.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 144753975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).