7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C22H23N5O3S — CID 126495555

IUPAC7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(O[C@H]2CCOC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C22H23N5O3S/c1-13-20(17-5-4-15(8-18(17)28-3)30-16-6-7-29-12-16)21-19(31-13)10-23-22(26-21)25-14-9-24-27(2)11-14/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,23,25,26)/t16-/m0/s1
InChIKeyJONIYKAWCPPKDS-INIZCTEOSA-N
MW437.53 g/mol
LogP4.32
Rot. Bonds6

About 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495555) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495555
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(O[C@H]2CCOC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C22H23N5O3S/c1-13-20(17-5-4-15(8-18(17)28-3)30-16-6-7-29-12-16)21-19(31-13)10-23-22(26-21)25-14-9-24-27(2)11-14/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,23,25,26)/t16-/m0/s1
InChIKeyJONIYKAWCPPKDS-INIZCTEOSA-N
XLogP4.32
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495555) is 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(O[C@H]2CCOC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is JONIYKAWCPPKDS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-13-20(17-5-4-15(8-18(17)28-3)30-16-6-7-29-12-16)21-19(31-13)10-23-22(26-21)25-14-9-24-27(2)11-14/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,23,25,26)/t16-/m0/s1.
What are the key properties of 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 437.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).