2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C17H19ClN4O2S — CID 45279540

IUPAC2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1Cc1cc2c(N)nc(-c3ccc(Cl)o3)nc2s1
InChIInChI=1S/C17H19ClN4O2S/c1-23-9-10-3-2-6-22(10)8-11-7-12-15(19)20-16(21-17(12)25-11)13-4-5-14(18)24-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyNBDYOMRSJAMZNM-SNVBAGLBSA-N
MW378.89 g/mol
LogP3.80
Rot. Bonds5

About 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279540) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279540
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1Cc1cc2c(N)nc(-c3ccc(Cl)o3)nc2s1
InChIInChI=1S/C17H19ClN4O2S/c1-23-9-10-3-2-6-22(10)8-11-7-12-15(19)20-16(21-17(12)25-11)13-4-5-14(18)24-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyNBDYOMRSJAMZNM-SNVBAGLBSA-N
XLogP3.80
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 45279540) is 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is COC[C@H]1CCCN1Cc1cc2c(N)nc(-c3ccc(Cl)o3)nc2s1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NBDYOMRSJAMZNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-23-9-10-3-2-6-22(10)8-11-7-12-15(19)20-16(21-17(12)25-11)13-4-5-14(18)24-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,19,20,21)/t10-/m1/s1.
What are the key properties of 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 378.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).