(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H23N5O — CID 95223316

IUPAC(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C19H23N5O/c25-17(24-10-4-7-19(14-24)8-9-20-13-19)15-11-21-18(22-12-15)23-16-5-2-1-3-6-16/h1-3,5-6,11-12,20H,4,7-10,13-14H2,(H,21,22,23)/t19-/m0/s1
InChIKeyHOIMPXBELRZDHM-IBGZPJMESA-N
MW337.43 g/mol
LogP2.44
Rot. Bonds3

About (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 95223316) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID95223316
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C19H23N5O/c25-17(24-10-4-7-19(14-24)8-9-20-13-19)15-11-21-18(22-12-15)23-16-5-2-1-3-6-16/h1-3,5-6,11-12,20H,4,7-10,13-14H2,(H,21,22,23)/t19-/m0/s1
InChIKeyHOIMPXBELRZDHM-IBGZPJMESA-N
XLogP2.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 125443768
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95455811
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
(2-anilinopyrimidin-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74232162
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 95223316) is (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@]2(CCNC2)C1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is HOIMPXBELRZDHM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O/c25-17(24-10-4-7-19(14-24)8-9-20-13-19)15-11-21-18(22-12-15)23-16-5-2-1-3-6-16/h1-3,5-6,11-12,20H,4,7-10,13-14H2,(H,21,22,23)/t19-/m0/s1.
What are the key properties of (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 95223316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).