4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine

C25H28N6O2 — CID 168728086

IUPAC4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(Cc3nc(N4CCOCC4)c4oc(CN5CCCC5)cc4n3)[nH]n2)cc1
InChIInChI=1S/C25H28N6O2/c1-2-6-18(7-3-1)21-14-19(28-29-21)15-23-26-22-16-20(17-30-8-4-5-9-30)33-24(22)25(27-23)31-10-12-32-13-11-31/h1-3,6-7,14,16H,4-5,8-13,15,17H2,(H,28,29)
InChIKeyXDTNBQXFARFSBA-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.64
Rot. Bonds6

About 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine

4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine (PubChem CID 168728086) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine
PubChem CID168728086
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(Cc3nc(N4CCOCC4)c4oc(CN5CCCC5)cc4n3)[nH]n2)cc1
InChIInChI=1S/C25H28N6O2/c1-2-6-18(7-3-1)21-14-19(28-29-21)15-23-26-22-16-20(17-30-8-4-5-9-30)33-24(22)25(27-23)31-10-12-32-13-11-31/h1-3,6-7,14,16H,4-5,8-13,15,17H2,(H,28,29)
InChIKeyXDTNBQXFARFSBA-UHFFFAOYSA-N
XLogP3.64
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine
CID 58234006
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
CID 168728066
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124048
4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 110172246
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine
CID 166164600
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123722
2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol
CID 59605560
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25113721
N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
CID 166738358
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one
CID 11482308

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine?
The IUPAC name of 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine (CID 168728086) is 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine?
The canonical SMILES for 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine is c1ccc(-c2cc(Cc3nc(N4CCOCC4)c4oc(CN5CCCC5)cc4n3)[nH]n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine?
The InChIKey is XDTNBQXFARFSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-2-6-18(7-3-1)21-14-19(28-29-21)15-23-26-22-16-20(17-30-8-4-5-9-30)33-24(22)25(27-23)31-10-12-32-13-11-31/h1-3,6-7,14,16H,4-5,8-13,15,17H2,(H,28,29).
What are the key properties of 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine?
4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine has a molecular weight of 444.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-(pyrrolidin-1-ylmethyl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 168728086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).