2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C21H24N6OS — CID 133279117

IUPAC2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C21H24N6OS/c1-26(2)13-18-24-20(23-16-11-22-27(12-16)9-10-28-3)19-17(14-29-21(19)25-18)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24,25)
InChIKeyVVXNPNDKGPSSRP-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.01
Rot. Bonds8

About 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133279117) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133279117
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C21H24N6OS/c1-26(2)13-18-24-20(23-16-11-22-27(12-16)9-10-28-3)19-17(14-29-21(19)25-18)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24,25)
InChIKeyVVXNPNDKGPSSRP-UHFFFAOYSA-N
XLogP4.01
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133279117) is 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCCn1cc(Nc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)cn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VVXNPNDKGPSSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-26(2)13-18-24-20(23-16-11-22-27(12-16)9-10-28-3)19-17(14-29-21(19)25-18)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 408.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133279117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).