4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C19H30N4O2 — CID 118739159

IUPAC4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(CC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-14(2)10-22-5-4-19(12-22)13-25-11-16-15(3)20-18(21-17(16)19)23-6-8-24-9-7-23/h14H,4-13H2,1-3H3
InChIKeyDVWSBAIXNWQVOQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739159) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739159
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(CC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-14(2)10-22-5-4-19(12-22)13-25-11-16-15(3)20-18(21-17(16)19)23-6-8-24-9-7-23/h14H,4-13H2,1-3H3
InChIKeyDVWSBAIXNWQVOQ-UHFFFAOYSA-N
XLogP1.75
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739159) is 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is Cc1nc(N2CCOCC2)nc2c1COCC21CCN(CC(C)C)C1.
What is the InChIKey of 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is DVWSBAIXNWQVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)10-22-5-4-19(12-22)13-25-11-16-15(3)20-18(21-17(16)19)23-6-8-24-9-7-23/h14H,4-13H2,1-3H3.
What are the key properties of 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 346.48 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).