1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C19H22N6O2 — CID 134177590

IUPAC1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC2(CCO2)CC1
InChIInChI=1S/C19H22N6O2/c26-16(25-6-3-18(4-7-25)5-8-27-18)14-9-22-17(23-10-14)24-19(1-2-19)15-11-20-13-21-12-15/h9-13H,1-8H2,(H,22,23,24)
InChIKeyWLWFCVSBLBKPBJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.76
Rot. Bonds4

About 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 134177590) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID134177590
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC2(CCO2)CC1
InChIInChI=1S/C19H22N6O2/c26-16(25-6-3-18(4-7-25)5-8-27-18)14-9-22-17(23-10-14)24-19(1-2-19)15-11-20-13-21-12-15/h9-13H,1-8H2,(H,22,23,24)
InChIKeyWLWFCVSBLBKPBJ-UHFFFAOYSA-N
XLogP1.76
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177712
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 139580413
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145441240
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 139580369
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441251
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 139580374
[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580387
[(3S,4S)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580395
[(2R)-2-ethynylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441238
1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72934930
3-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidine-5-carbonyl]benzamide
CID 134539199
[2-(cyclopropylamino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109247511

Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 134177590) is 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC2(CCO2)CC1.
What is the InChIKey of 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is WLWFCVSBLBKPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-16(25-6-3-18(4-7-25)5-8-27-18)14-9-22-17(23-10-14)24-19(1-2-19)15-11-20-13-21-12-15/h9-13H,1-8H2,(H,22,23,24).
What are the key properties of 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).