2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 70707165

IUPAC2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C19H30N4O2/c1-2-4-16-13-20-15-21-18(16)22-10-7-19(8-11-22)6-5-17(25)23(14-19)9-3-12-24/h13,15,24H,2-12,14H2,1H3
InChIKeyDUMMRIPQAJQTTK-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.02
Rot. Bonds6

About 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70707165) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70707165
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C19H30N4O2/c1-2-4-16-13-20-15-21-18(16)22-10-7-19(8-11-22)6-5-17(25)23(14-19)9-3-12-24/h13,15,24H,2-12,14H2,1H3
InChIKeyDUMMRIPQAJQTTK-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70707165) is 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1cncnc1N1CCC2(CCC(=O)N(CCCO)C2)CC1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DUMMRIPQAJQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-4-16-13-20-15-21-18(16)22-10-7-19(8-11-22)6-5-17(25)23(14-19)9-3-12-24/h13,15,24H,2-12,14H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70707165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).