4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C17H17FN4O3S — CID 118610741

IUPAC4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OCC2CC2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3)c2n1
InChIInChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-8-10-5-6-10)22-16(19)15(13)26(23,24)12-4-2-3-11(18)7-12/h2-4,7,10,22H,5-6,8,19H2,1H3
InChIKeyXYMQNAMXAZNVCS-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.61
Rot. Bonds5

About 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610741) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610741
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OCC2CC2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3)c2n1
InChIInChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-8-10-5-6-10)22-16(19)15(13)26(23,24)12-4-2-3-11(18)7-12/h2-4,7,10,22H,5-6,8,19H2,1H3
InChIKeyXYMQNAMXAZNVCS-UHFFFAOYSA-N
XLogP2.61
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610741) is 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(OCC2CC2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3)c2n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is XYMQNAMXAZNVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-9-20-13-14(17(21-9)25-8-10-5-6-10)22-16(19)15(13)26(23,24)12-4-2-3-11(18)7-12/h2-4,7,10,22H,5-6,8,19H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 376.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).