5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C19H26N4O4 — CID 72892255

IUPAC5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)c1=O
InChIInChI=1S/C19H26N4O4/c1-21-16(25)14(10-20-18(21)27)9-15(24)23-8-6-19(12-23)5-2-7-22(17(19)26)11-13-3-4-13/h10,13H,2-9,11-12H2,1H3,(H,20,27)
InChIKeyNXWAJQZHLULUSA-UHFFFAOYSA-N
MW374.44 g/mol
LogP-0.13
Rot. Bonds4

About 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 72892255) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID72892255
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)c1=O
InChIInChI=1S/C19H26N4O4/c1-21-16(25)14(10-20-18(21)27)9-15(24)23-8-6-19(12-23)5-2-7-22(17(19)26)11-13-3-4-13/h10,13H,2-9,11-12H2,1H3,(H,20,27)
InChIKeyNXWAJQZHLULUSA-UHFFFAOYSA-N
XLogP-0.13
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 72892255) is 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)c1=O.
What is the InChIKey of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is NXWAJQZHLULUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21-16(25)14(10-20-18(21)27)9-15(24)23-8-6-19(12-23)5-2-7-22(17(19)26)11-13-3-4-13/h10,13H,2-9,11-12H2,1H3,(H,20,27).
What are the key properties of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).