(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C18H26N4O2 — CID 74233946

IUPAC(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1
InChIInChI=1S/C18H26N4O2/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13/h9-10,13,15,19,23H,1-8,11-12H2
InChIKeyLYIHMFSINCIKRV-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.18
Rot. Bonds3

About (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 74233946) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID74233946
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1
InChIInChI=1S/C18H26N4O2/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13/h9-10,13,15,19,23H,1-8,11-12H2
InChIKeyLYIHMFSINCIKRV-UHFFFAOYSA-N
XLogP1.18
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 74233946) is (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is LYIHMFSINCIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13/h9-10,13,15,19,23H,1-8,11-12H2.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 74233946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).