1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine

C31H38N6O2 — CID 52933505

IUPAC1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine
SMILESCOc1nc(N2CCN(CCN(C)C)CC2)nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C31H38N6O2/c1-35(2)16-17-36-18-20-37(21-19-36)30-33-28(38-3)26-25(22-8-5-4-6-9-22)27(39-29(26)34-30)23-10-12-24(13-11-23)31(32)14-7-15-31/h4-6,8-13H,7,14-21,32H2,1-3H3
InChIKeyANQQULVRKDCBPT-UHFFFAOYSA-N
MW526.69 g/mol
LogP4.59
Rot. Bonds8

About 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine

1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine (PubChem CID 52933505) has the molecular formula C31H38N6O2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine
PubChem CID52933505
Molecular FormulaC31H38N6O2
Molecular Weight526.69 g/mol
Exact Mass526.31
IUPAC Name1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine
SMILESCOc1nc(N2CCN(CCN(C)C)CC2)nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C31H38N6O2/c1-35(2)16-17-36-18-20-37(21-19-36)30-33-28(38-3)26-25(22-8-5-4-6-9-22)27(39-29(26)34-30)23-10-12-24(13-11-23)31(32)14-7-15-31/h4-6,8-13H,7,14-21,32H2,1-3H3
InChIKeyANQQULVRKDCBPT-UHFFFAOYSA-N
XLogP4.59
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine (CID 52933505) is 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine is COc1nc(N2CCN(CCN(C)C)CC2)nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine?
The InChIKey is ANQQULVRKDCBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2/c1-35(2)16-17-36-18-20-37(21-19-36)30-33-28(38-3)26-25(22-8-5-4-6-9-22)27(39-29(26)34-30)23-10-12-24(13-11-23)31(32)14-7-15-31/h4-6,8-13H,7,14-21,32H2,1-3H3.
What are the key properties of 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine?
1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine has a molecular weight of 526.69 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 52933505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).