7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H24N4OS — CID 72892268

IUPAC7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(N2CCC3(CCCN(CC4CC4)C3=O)C2)c2sccc2n1
InChIInChI=1S/C19H24N4OS/c1-13-20-15-5-10-25-16(15)17(21-13)23-9-7-19(12-23)6-2-8-22(18(19)24)11-14-3-4-14/h5,10,14H,2-4,6-9,11-12H2,1H3
InChIKeyAYBYMMMAQNBWMH-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.23
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72892268) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72892268
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(N2CCC3(CCCN(CC4CC4)C3=O)C2)c2sccc2n1
InChIInChI=1S/C19H24N4OS/c1-13-20-15-5-10-25-16(15)17(21-13)23-9-7-19(12-23)6-2-8-22(18(19)24)11-14-3-4-14/h5,10,14H,2-4,6-9,11-12H2,1H3
InChIKeyAYBYMMMAQNBWMH-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72892268) is 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(N2CCC3(CCCN(CC4CC4)C3=O)C2)c2sccc2n1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AYBYMMMAQNBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13-20-15-5-10-25-16(15)17(21-13)23-9-7-19(12-23)6-2-8-22(18(19)24)11-14-3-4-14/h5,10,14H,2-4,6-9,11-12H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72892268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).