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

C18H26N4O2 — CID 118739572

IUPAC1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1nc(N2CCOCC2)nc2c1COCC21CCN(CC2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-2-14(1)10-21-4-3-18(12-21)13-24-11-15-9-19-17(20-16(15)18)22-5-7-23-8-6-22/h9,14H,1-8,10-13H2
InChIKeySPLMBESSPXEOML-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.20
Rot. Bonds3

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

1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739572) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739572
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1nc(N2CCOCC2)nc2c1COCC21CCN(CC2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-2-14(1)10-21-4-3-18(12-21)13-24-11-15-9-19-17(20-16(15)18)22-5-7-23-8-6-22/h9,14H,1-8,10-13H2
InChIKeySPLMBESSPXEOML-UHFFFAOYSA-N
XLogP1.20
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739572) is 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is c1nc(N2CCOCC2)nc2c1COCC21CCN(CC2CC2)C1.
What is the InChIKey of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is SPLMBESSPXEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-14(1)10-21-4-3-18(12-21)13-24-11-15-9-19-17(20-16(15)18)22-5-7-23-8-6-22/h9,14H,1-8,10-13H2.
What are the key properties of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 330.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).