4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C21H27N5O2 — CID 131648726

IUPAC4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2cccnc2)C1
InChIInChI=1S/C21H27N5O2/c1-16-18-13-28-15-21(4-6-25(14-21)12-17-3-2-5-22-11-17)19(18)24-20(23-16)26-7-9-27-10-8-26/h2-3,5,11H,4,6-10,12-15H2,1H3
InChIKeySENHXQLBTADGND-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.69
Rot. Bonds3

About 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 131648726) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID131648726
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2cccnc2)C1
InChIInChI=1S/C21H27N5O2/c1-16-18-13-28-15-21(4-6-25(14-21)12-17-3-2-5-22-11-17)19(18)24-20(23-16)26-7-9-27-10-8-26/h2-3,5,11H,4,6-10,12-15H2,1H3
InChIKeySENHXQLBTADGND-UHFFFAOYSA-N
XLogP1.69
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] 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

4-methyl-1'-[(3-methylphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 134075909
1'-[(2-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131644843
2-pyridin-3-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131662921
(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131651496
2-pyridin-3-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];trihydrochloride
CID 155856195
N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131663736
1'-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];hydrochloride
CID 155831481
1'-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131640517
(8S)-1'-[(4-chlorophenyl)methyl]-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 98778628
1'-[(4-fluorophenyl)methyl]-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131639160
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 131648726) is 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is Cc1nc(N2CCOCC2)nc2c1COCC21CCN(Cc2cccnc2)C1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is SENHXQLBTADGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-18-13-28-15-21(4-6-25(14-21)12-17-3-2-5-22-11-17)19(18)24-20(23-16)26-7-9-27-10-8-26/h2-3,5,11H,4,6-10,12-15H2,1H3.
What are the key properties of 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 381.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 131648726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).