N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine

C22H26N4OS — CID 133381214

IUPACN-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
SMILESCOCc1nc(N2CCC(NC3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H26N4OS/c1-27-13-19-24-21(26-11-9-17(10-12-26)23-16-7-8-16)20-18(14-28-22(20)25-19)15-5-3-2-4-6-15/h2-6,14,16-17,23H,7-13H2,1H3
InChIKeyXSOSBSXFFOVHDR-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.23
Rot. Bonds6

About N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine

N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine (PubChem CID 133381214) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
PubChem CID133381214
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
SMILESCOCc1nc(N2CCC(NC3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H26N4OS/c1-27-13-19-24-21(26-11-9-17(10-12-26)23-16-7-8-16)20-18(14-28-22(20)25-19)15-5-3-2-4-6-15/h2-6,14,16-17,23H,7-13H2,1H3
InChIKeyXSOSBSXFFOVHDR-UHFFFAOYSA-N
XLogP4.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine (CID 133381214) is N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine is COCc1nc(N2CCC(NC3CC3)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is XSOSBSXFFOVHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-27-13-19-24-21(26-11-9-17(10-12-26)23-16-7-8-16)20-18(14-28-22(20)25-19)15-5-3-2-4-6-15/h2-6,14,16-17,23H,7-13H2,1H3.
What are the key properties of N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine has a molecular weight of 394.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 133381214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).