8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C14H20N4O4 — CID 131662857

IUPAC8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(CCO)C2)CN1c1cncnc1
InChIInChI=1S/C14H20N4O4/c19-3-1-17-2-4-21-10-14(8-17)9-18(13(20)7-22-14)12-5-15-11-16-6-12/h5-6,11,19H,1-4,7-10H2
InChIKeyFKDNOPWEIZLZTD-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.10
Rot. Bonds3

About 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131662857) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131662857
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(CCO)C2)CN1c1cncnc1
InChIInChI=1S/C14H20N4O4/c19-3-1-17-2-4-21-10-14(8-17)9-18(13(20)7-22-14)12-5-15-11-16-6-12/h5-6,11,19H,1-4,7-10H2
InChIKeyFKDNOPWEIZLZTD-UHFFFAOYSA-N
XLogP-1.10
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-cyclopropylacetyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077563
4-(1-methylpyrazol-4-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659682
(6S)-8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374598
9-ethylsulfonyl-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97396626
8-(oxan-4-ylmethyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854448
4-phenyl-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155850213
8-[2-(dimethylamino)acetyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077933
8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131644336
(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374541
4-(3-fluorophenyl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659019
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131662857) is 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1COC2(COCCN(CCO)C2)CN1c1cncnc1.
What is the InChIKey of 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is FKDNOPWEIZLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-3-1-17-2-4-21-10-14(8-17)9-18(13(20)7-22-14)12-5-15-11-16-6-12/h5-6,11,19H,1-4,7-10H2.
What are the key properties of 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 308.34 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131662857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).