5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide

C24H29N5O3S — CID 42825019

IUPAC5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide
SMILESCCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)NN3CCOCC3)o2)n1
InChIInChI=1S/C24H29N5O3S/c1-3-28(4-2)22-16-20(18-8-6-5-7-9-18)25-24(26-22)33-17-19-10-11-21(32-19)23(30)27-29-12-14-31-15-13-29/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,27,30)
InChIKeyRTZIEGYWMHETFH-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.85
Rot. Bonds9

About 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide

5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide (PubChem CID 42825019) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide
PubChem CID42825019
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide
SMILESCCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)NN3CCOCC3)o2)n1
InChIInChI=1S/C24H29N5O3S/c1-3-28(4-2)22-16-20(18-8-6-5-7-9-18)25-24(26-22)33-17-19-10-11-21(32-19)23(30)27-29-12-14-31-15-13-29/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,27,30)
InChIKeyRTZIEGYWMHETFH-UHFFFAOYSA-N
XLogP3.85
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824942
5-[[4-[benzyl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-ethylfuran-2-carboxamide
CID 42825056
N-(2-morpholin-4-ylethyl)-5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 83289833
5-[[4-[benzyl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42825059
5-[[4-(2-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42825026
5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824167
4-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46143733
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42827417
5-[[4-(4-benzylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42825016
5-methyl-N-morpholin-4-ylfuran-2-carboxamide
CID 3507503
5-[[4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl]sulfanylmethyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 93146574
morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
CID 6402590

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide (CID 42825019) is 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide is CCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)NN3CCOCC3)o2)n1.
What is the InChIKey of 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide?
The InChIKey is RTZIEGYWMHETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-3-28(4-2)22-16-20(18-8-6-5-7-9-18)25-24(26-22)33-17-19-10-11-21(32-19)23(30)27-29-12-14-31-15-13-29/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,27,30).
What are the key properties of 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide?
5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 42825019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).