N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

C29H40N4O3 — CID 68780648

IUPACN-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc2c1OC(C)(C)C=C2
InChIInChI=1S/C29H40N4O3/c1-8-34-23-16-19(15-20-9-12-27(2,3)35-24(20)23)18-33-13-10-21(11-14-33)31-26-30-17-22-25(32-26)29(6,7)36-28(22,4)5/h9,12,15-17,21H,8,10-11,13-14,18H2,1-7H3,(H,30,31,32)
InChIKeyNHWWWDCLPIMJRQ-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.64
Rot. Bonds6

About N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (PubChem CID 68780648) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
PubChem CID68780648
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC NameN-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc2c1OC(C)(C)C=C2
InChIInChI=1S/C29H40N4O3/c1-8-34-23-16-19(15-20-9-12-27(2,3)35-24(20)23)18-33-13-10-21(11-14-33)31-26-30-17-22-25(32-26)29(6,7)36-28(22,4)5/h9,12,15-17,21H,8,10-11,13-14,18H2,1-7H3,(H,30,31,32)
InChIKeyNHWWWDCLPIMJRQ-UHFFFAOYSA-N
XLogP5.64
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-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-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (CID 68780648) is N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is CCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)cc2c1OC(C)(C)C=C2.
What is the InChIKey of N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The InChIKey is NHWWWDCLPIMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-8-34-23-16-19(15-20-9-12-27(2,3)35-24(20)23)18-33-13-10-21(11-14-33)31-26-30-17-22-25(32-26)29(6,7)36-28(22,4)5/h9,12,15-17,21H,8,10-11,13-14,18H2,1-7H3,(H,30,31,32).
What are the key properties of N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine has a molecular weight of 492.66 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 68780648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).