N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C26H35N5O4 — CID 58702607

IUPACN-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCO2)N(CCCN1CCOCC1)c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C26H35N5O4/c32-22-5-3-21(4-6-22)28-26-27-10-8-24(29-26)31(12-1-11-30-13-16-34-17-14-30)25(33)20-2-7-23-19(18-20)9-15-35-23/h2,7-8,10,18,21-22,32H,1,3-6,9,11-17H2,(H,27,28,29)
InChIKeyFPORONMFXBVDGW-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.50
Rot. Bonds8

About N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 58702607) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID58702607
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC NameN-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCO2)N(CCCN1CCOCC1)c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C26H35N5O4/c32-22-5-3-21(4-6-22)28-26-27-10-8-24(29-26)31(12-1-11-30-13-16-34-17-14-30)25(33)20-2-7-23-19(18-20)9-15-35-23/h2,7-8,10,18,21-22,32H,1,3-6,9,11-17H2,(H,27,28,29)
InChIKeyFPORONMFXBVDGW-UHFFFAOYSA-N
XLogP2.50
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 58702607) is N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(c1ccc2c(c1)CCO2)N(CCCN1CCOCC1)c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is FPORONMFXBVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c32-22-5-3-21(4-6-22)28-26-27-10-8-24(29-26)31(12-1-11-30-13-16-34-17-14-30)25(33)20-2-7-23-19(18-20)9-15-35-23/h2,7-8,10,18,21-22,32H,1,3-6,9,11-17H2,(H,27,28,29).
What are the key properties of N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 58702607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).