4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde

C24H21N3O3 — CID 11509547

IUPAC4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
SMILESO=Cc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-14-16-8-10-18(11-9-16)22-20(17-5-2-1-3-6-17)21-23(26-15-27-24(21)30-22)25-13-19-7-4-12-29-19/h1-3,5-6,8-11,14-15,19H,4,7,12-13H2,(H,25,26,27)/t19-/m0/s1
InChIKeyFFNQKJOPGRJEPP-IBGZPJMESA-N
MW399.45 g/mol
LogP4.96
Rot. Bonds6

About 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde

4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde (PubChem CID 11509547) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
PubChem CID11509547
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
SMILESO=Cc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-14-16-8-10-18(11-9-16)22-20(17-5-2-1-3-6-17)21-23(26-15-27-24(21)30-22)25-13-19-7-4-12-29-19/h1-3,5-6,8-11,14-15,19H,4,7,12-13H2,(H,25,26,27)/t19-/m0/s1
InChIKeyFFNQKJOPGRJEPP-IBGZPJMESA-N
XLogP4.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 58603256
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide
CID 58603276
N-(1,3-oxathiolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11646785
but-3-enal;6-[(E)-but-2-en-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylfuro[2,3-d]pyrimidin-4-amine;N-methylmethanamine
CID 143163779
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 11236121
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
4-[4-(1,3-dithiolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenol
CID 71470769
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2952887

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde?
The IUPAC name of 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde (CID 11509547) is 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde.
What is the SMILES notation for 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde?
The canonical SMILES for 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde is O=Cc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde?
The InChIKey is FFNQKJOPGRJEPP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21N3O3/c28-14-16-8-10-18(11-9-16)22-20(17-5-2-1-3-6-17)21-23(26-15-27-24(21)30-22)25-13-19-7-4-12-29-19/h1-3,5-6,8-11,14-15,19H,4,7,12-13H2,(H,25,26,27)/t19-/m0/s1.
What are the key properties of 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde?
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde has a molecular weight of 399.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde is sourced from PubChem (CID 11509547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).