N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

C27H29N3O3 — CID 86211262

IUPACN-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(NC4CCCCCC4)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-31-21-13-9-18(10-14-21)23-24-26(30-20-7-5-3-4-6-8-20)28-17-29-27(24)33-25(23)19-11-15-22(32-2)16-12-19/h9-17,20H,3-8H2,1-2H3,(H,28,29,30)
InChIKeyXMJRCGDCLZVEFD-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.71
Rot. Bonds6

About N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 86211262) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID86211262
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(NC4CCCCCC4)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-31-21-13-9-18(10-14-21)23-24-26(30-20-7-5-3-4-6-8-20)28-17-29-27(24)33-25(23)19-11-15-22(32-2)16-12-19/h9-17,20H,3-8H2,1-2H3,(H,28,29,30)
InChIKeyXMJRCGDCLZVEFD-UHFFFAOYSA-N
XLogP6.71
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-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 N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (CID 86211262) is N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2oc3ncnc(NC4CCCCCC4)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is XMJRCGDCLZVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-31-21-13-9-18(10-14-21)23-24-26(30-20-7-5-3-4-6-8-20)28-17-29-27(24)33-25(23)19-11-15-22(32-2)16-12-19/h9-17,20H,3-8H2,1-2H3,(H,28,29,30).
What are the key properties of N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86211262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).