[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone

C16H21N3O2 — CID 97084941

IUPAC[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CC[C@H]2OCCC[C@@H]2C1
InChIInChI=1S/C16H21N3O2/c20-16(13-5-7-17-15(18-13)11-3-4-11)19-8-6-14-12(10-19)2-1-9-21-14/h5,7,11-12,14H,1-4,6,8-10H2/t12-,14-/m1/s1
InChIKeyGONFGMYGNWXTAE-TZMCWYRMSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds2

About [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone

[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (PubChem CID 97084941) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
PubChem CID97084941
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CC[C@H]2OCCC[C@@H]2C1
InChIInChI=1S/C16H21N3O2/c20-16(13-5-7-17-15(18-13)11-3-4-11)19-8-6-14-12(10-19)2-1-9-21-14/h5,7,11-12,14H,1-4,6,8-10H2/t12-,14-/m1/s1
InChIKeyGONFGMYGNWXTAE-TZMCWYRMSA-N
XLogP2.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97367286
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97369347
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369453
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369659
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419481
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419711
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447
4-{[4-(Isopropoxymethyl)piperidin-1-yl]carbonyl}-2-isopropylpyrimidine
CID 118794982
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methoxypyrimidin-4-yl)methanone
CID 136586640
(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
CID 164642625
4-{3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine
CID 124051179
[(4aS,8R,8aS)-8-(dimethylamino)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828842

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The IUPAC name of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (CID 97084941) is [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The canonical SMILES for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is O=C(c1ccnc(C2CC2)n1)N1CC[C@H]2OCCC[C@@H]2C1.
What is the InChIKey of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The InChIKey is GONFGMYGNWXTAE-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(13-5-7-17-15(18-13)11-3-4-11)19-8-6-14-12(10-19)2-1-9-21-14/h5,7,11-12,14H,1-4,6,8-10H2/t12-,14-/m1/s1.
What are the key properties of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is sourced from PubChem (CID 97084941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).