1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C18H22N4O — CID 146069438

IUPAC1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCCCc1ncc2c(n1)COC21CN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C18H22N4O/c1-3-4-17-20-8-15-16(21-17)10-23-18(15)11-22(12-18)9-14-6-5-13(2)7-19-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDAZHKIZIEQKAQI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.37
Rot. Bonds4

About 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069438) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069438
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCCCc1ncc2c(n1)COC21CN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C18H22N4O/c1-3-4-17-20-8-15-16(21-17)10-23-18(15)11-22(12-18)9-14-6-5-13(2)7-19-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDAZHKIZIEQKAQI-UHFFFAOYSA-N
XLogP2.37
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069438) is 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is CCCc1ncc2c(n1)COC21CN(Cc2ccc(C)cn2)C1.
What is the InChIKey of 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is DAZHKIZIEQKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-4-17-20-8-15-16(21-17)10-23-18(15)11-22(12-18)9-14-6-5-13(2)7-19-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 310.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).