N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

C32H45N5O6 — CID 142273896

IUPACN-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOC1=NC(NCCCN2CCOCC2)NC(OC)=C1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C32H45N5O6/c1-20-17-23-24(32(4,5)43-31(23,2)3)19-21(20)18-22-9-10-25(42-22)27(38)34-26-28(39-6)35-30(36-29(26)40-7)33-11-8-12-37-13-15-41-16-14-37/h9-10,17,19,30,33,35H,8,11-16,18H2,1-7H3,(H,34,38)
InChIKeyKMFWEKSCUWPSFU-UHFFFAOYSA-N
MW595.74 g/mol
LogP3.47
Rot. Bonds10

About N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (PubChem CID 142273896) has the molecular formula C32H45N5O6 and a molecular weight of 595.74 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
PubChem CID142273896
Molecular FormulaC32H45N5O6
Molecular Weight595.74 g/mol
Exact Mass595.34
IUPAC NameN-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOC1=NC(NCCCN2CCOCC2)NC(OC)=C1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C32H45N5O6/c1-20-17-23-24(32(4,5)43-31(23,2)3)19-21(20)18-22-9-10-25(42-22)27(38)34-26-28(39-6)35-30(36-29(26)40-7)33-11-8-12-37-13-15-41-16-14-37/h9-10,17,19,30,33,35H,8,11-16,18H2,1-7H3,(H,34,38)
InChIKeyKMFWEKSCUWPSFU-UHFFFAOYSA-N
XLogP3.47
TPSA118.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.74
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (CID 142273896) is N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is COC1=NC(NCCCN2CCOCC2)NC(OC)=C1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1.
What is the InChIKey of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The InChIKey is KMFWEKSCUWPSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O6/c1-20-17-23-24(32(4,5)43-31(23,2)3)19-21(20)18-22-9-10-25(42-22)27(38)34-26-28(39-6)35-30(36-29(26)40-7)33-11-8-12-37-13-15-41-16-14-37/h9-10,17,19,30,33,35H,8,11-16,18H2,1-7H3,(H,34,38).
What are the key properties of N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide has a molecular weight of 595.74 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)-1,2-dihydropyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 142273896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).